3,29-Dibenzoyl Rarounitriol | CAS#873001-54-8 | Pentacyclic triterpenoid

3,29-Dibenzoyl Rarounitriol
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 112021

CAS#: 873001-54-8

Description: 3,29-Dibenzoyl rarounitriol is a pentacyclic triterpenoid that has been found in T. kirilowii.

Chemical Structure

3,29-Dibenzoyl Rarounitriol

CAS# 873001-54-8

Instruction

Theoretical Analysis

MedKoo Cat#: 112021
Name: 3,29-Dibenzoyl Rarounitriol
CAS#: 873001-54-8
Chemical Formula: C44H58O5
Exact Mass: 666.43
Molecular Weight: 666.940
Elemental Analysis: C, 79.24; H, 8.77; O, 11.99

Price and Availability

Size	Price	Availability
1mg	USD 230	2 Weeks
5mg	USD 520	2 Weeks
10mg	USD 810	2 Weeks
25mg	USD 1130	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: 3,29-Dibenzoyl Rarounitriol; 3,29Dibenzoyl Rarounitriol; 3,29 Dibenzoyl Rarounitriol

IUPAC/Chemical Name: ((2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-(benzoyloxy)-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicen-2-yl)methyl benzoate

InChi Key: ZRKGVMOZKMBTHF-DUVCPVCPSA-N

InChi Code: InChI=1S/C44H58O5/c1-39(2)33-26-32(45)36-31(42(33,5)20-19-35(39)49-38(47)30-16-12-9-13-17-30)18-21-43(6)34-27-40(3,22-23-41(34,4)24-25-44(36,43)7)28-48-37(46)29-14-10-8-11-15-29/h8-17,32-35,45H,18-28H2,1-7H3/t32-,33-,34+,35+,40+,41+,42+,43-,44+/m0/s1

SMILES Code: C[C@@]12[C@](CCC3=C2[C@@H](O)C[C@@]4([C@]3(C)CC[C@@H](OC(C5=CC=CC=C5)=O)C4(C)C)[H])(C)[C@]6([C@@](CC[C@](C6)(COC(C7=CC=CC=C7)=O)C)(C)CC1)[H]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	6.7	10.00

Preparing Stock Solutions

The following data is based on the product molecular weight 666.94 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:
In vitro protocol:
In vivo protocol:

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

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1: Zhang HQ, Liu P, Duan JA, Dong L, Shang EX, Qian DW, Xiao P, Zhao M, Li WW. Hierarchical extraction and simultaneous determination of flavones and triterpenes in different parts of Trichosanthes kirilowii Maxim. by ultra-high- performance liquid chromatography coupled with tandem mass spectrometry. J Pharm Biomed Anal. 2019 Apr 15;167:114-122. doi: 10.1016/j.jpba.2019.02.003. Epub 2019 Feb 6. PMID: 30763882.

2: Zhao C, Zhang N, Chen B, Song Y, Zhu N, Zhao L, Liu C, Meng X. A rapid and sensitive LC-MS/MS method for quantification of 3,29-dibenzoyl rarounitriol in rat plasma: application to a pharmacokinetic study. Biomed Chromatogr. 2015 Aug;29(8):1229-34. doi: 10.1002/bmc.3412. Epub 2015 Jan 22. PMID: 25611485.

3: Liu JN, Xie XL, Yang TX, Zhang CL, Jia DS, Liu M, Wen CX. [Influence of different processing methods and mature stages on 3,29-dibenzoyl rarounitriol of Trichosanthes kirilowii seeds]. Zhong Yao Cai. 2014 Apr;37(4):581-3. Chinese. PMID: 25345128.

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