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Substance Name: 5alpha-Ergostane-3beta,5,6beta,7beta-tetrol
RN: 80525-48-0
InChIKey: XMPORRMUVWJINB-AQESZVELSA-N

Note

  • From soft coral Anthelia glauca.

Molecular Weight

  • 450.699
 
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Names and Synonyms

Name of Substance

  • 5alpha-Ergostane-3beta,5,6beta,7beta-tetrol

Synonym

  • 5-EG-TO

Systematic Name

  • Ergostane-3,5,6,7-tetrol, (3beta,5alpha,6beta,7beta)-

Registry Numbers

CAS Registry Number

  • 80525-48-0

System Generated Number

  • 0080525480

Structure Descriptors

InChI

1S/C28H50O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h16-25,29-32H,7-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1

InChIKey

XMPORRMUVWJINB-AQESZVELSA-N

Smiles

C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)O)C