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Sarmentogenin

Catalog Number: EVT-1535838

CAS Number: 76-28-8

Molecular Formula: C23H34O5

Molecular Weight: 390.5 g/mol

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

Sarmentogenin is a member of the class of cardenolides that is 5beta-card-20(22)-enolide which is substituted by hydroxy groups at the 3beta, 11alpha, and 14beta positions. It has a role as a plant metabolite. It is a 3beta-hydroxy steroid, an 11alpha-hydroxy steroid, a 14beta-hydroxy steroid and a member of cardenolides. It derives from a hydride of a 5beta-cardanolide.

Properties

CAS Number

76-28-8

Product Name

Sarmentogenin

IUPAC Name

3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Molecular Formula

C23H34O5

Molecular Weight

390.5 g/mol

InChI

InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-20(21)18(25)11-22(2)16(6-8-23(17,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18-,20-,21+,22-,23+/m1/s1

InChI Key

FLMSQRUGSHIKCT-DDZQJACLSA-N

SMILES

CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O

Canonical SMILES

CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O

Isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O

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