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Product Overview

Product Code

CDX-00002012

CAS Number

198014-94-7

Product Format

Neat

Molecular Formula

C30 H48 O3

Molecular Weight

456.70

Product Categories

Terpenes

Documentation

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Product Information

Analyte Data

Analyte Name

Bacosine

CAS Number

198014-94-7

Molecular Formula

C30 H48 O3

Molecular Weight

456.70

Accurate Mass

456.3603

Appearance/Form

Powder

Flash Point

-20

Color

White

Odor

Odourless

SMILES

CC(=C)[C@@H]1CC[C@]2(C)CC[C@@]3([C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O

InChI

InChI=1S/C30H48O3/c1-18(2)19-10-13-27(5)16-17-30(25(32)33)20(24(19)27)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24+,27+,28-,29+,30+/m0/s1

IUPAC

(1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-3a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

UNITED STATES

Product Format

Neat

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