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Product Overview

Product Code

TRC-S686745

CAS Number

4970-37-0

Product Format

Neat

Molecular Formula

C29 H48 . C28 H46

Molecular Weight

779.36

Product Categories

TRC, Hormones, Hormones, Steroids and derivatives, Hormones, Steroids and derivatives

Product Type

Bioactive Small Molecule

Drug Type

Steroids / Hormones

Documentation

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Product Information

Chemical Data

Analyte Name

Stigmasta-3,5-diene

CAS Number

4970-37-0

Molecular Formula

C29 H48 . C28 H46

Molecular Weight

779.36

Accurate Mass

778.7356

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C.CC(C)[C@H](C)CC[C@@H](C)[C@H]5CC[C@H]6[C@@H]7CC=C8C=CCC[C@]8(C)[C@H]7CC[C@]56C

InChI

InChI=1S/C29H48.C28H46/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6;1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3;7,9,12,19-21,23-26H,8,10-11,13-18H2,1-6H3/t21-,22-,24+,25-,26+,27+,28+,29-;20-,21-,23+,24-,25+,26+,27+,28-/m11/s1

IUPAC

(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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