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MedKoo Cat#: 112021 | Name: 3,29-Dibenzoyl Rarounitriol
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

Chemical Structure

3,29-Dibenzoyl Rarounitriol
3,29-Dibenzoyl Rarounitriol
CAS#873001-54-8

Theoretical Analysis

MedKoo Cat#: 112021

Name: 3,29-Dibenzoyl Rarounitriol

CAS#: 873001-54-8

Chemical Formula: C44H58O5

Exact Mass: 666.4284

Molecular Weight: 666.94

Elemental Analysis: C, 79.24; H, 8.77; O, 11.99

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 650.00 2 Weeks
25mg USD 1,250.00 2 Weeks
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Related CAS #
No Data
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
Solvent mg/mL mM
Solubility
DMSO 6.7 10.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

Recalculate based on batch purity %
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
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.