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Product Overview

Product Code

TRC-B334700

CAS Number

174022-42-5

Product Format

Neat

Molecular Formula

C36 H56 O6

Molecular Weight

584.83

API Family

Bevirimat

Product Categories

TRC, API Reference Standards & Research Materials, Anti-HIV agents, Pharmaceutical Toxicology Reference Materials , Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools, Metabolite, API

Documentation

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Product Information

Chemical Data

Analyte Name

Bevirimat

CAS Number

174022-42-5

Molecular Formula

C36 H56 O6

Molecular Weight

584.83

Accurate Mass

584.4077

SMILES

CC(=C)C1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O

InChI

InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22?,23-,24+,25-,26+,28-,33+,34-,35-,36+/m1/s1

IUPAC

(3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-carboxy-3-methyl-butanoyl)oxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Bevirimat

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