CAS 2864-50-8 | Cholest-5-en-3-ol (3β)-, 3-(hydrogen sulfate), sodium salt (1:1) | CAS Number 2864-50-8

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2864-50-8 | Cholest-5-en-3-ol (3β)-, 3-(hydrogen sulfate), sodium salt (1:1)

CAS No: 2864-50-8 Catalog No: AG002VY5 MDL No:MFCD00079091

Product Description

Catalog Number:

AG002VY5

Chemical Name:

Cholest-5-en-3-ol (3β)-, 3-(hydrogen sulfate), sodium salt (1:1)

CAS Number:

2864-50-8

Molecular Formula:

C27H45NaO4S

Molecular Weight:

488.6986

MDL Number:

MFCD00079091

IUPAC Name:

sodium;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate

InChI:

InChI=1S/C27H46O4S.Na/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30);/q;+1/p-1/t19-,21+,22+,23-,24+,25+,26+,27-;/m1./s1

InChI Key:

LMPVQXVJTZWENW-KPNWGBFJSA-M

SMILES:

CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-])C)C.[Na+]

UNII:

87FG30X25H