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Substance Name: 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one
RN: 143625-39-2
InChIKey: JBBOTAYOANLXIB-HDRUIAHASA-N

Note

  • From marine sponge Spongia officinalis.

Molecular Weight

  • 434.656
 
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Names and Synonyms

Name of Substance

  • 9,11-Seco-3,6,11-trihydroxycholest-7-en-9-one

Synonyms

  • 9,11-Seco-3beta,6alpha,11-trihydroxy-5alpha-cholest-7-en-9-one
  • 9,11-Sthceo

Registry Numbers

CAS Registry Number

  • 143625-39-2

System Generated Number

  • 0143625392

Structure Descriptors

InChI

1S/C27H46O4/c1-17(2)7-6-8-18(3)21-9-10-22(26(21,4)13-14-28)20-16-24(30)23-15-19(29)11-12-27(23,5)25(20)31/h16-19,21-24,28-30H,6-15H2,1-5H3/t18-,19?,21-,22?,23?,24?,26-,27+/m1/s1

InChIKey

JBBOTAYOANLXIB-HDRUIAHASA-N

Smiles

C1[C@@H](C[C@@H]2[C@@H](C=C([C@@H]3CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]3(C)CCO)C([C@@]2(C1)C)=O)O)O