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Substance Name: 9,11-Seco-3,6,11-trihydroxy-24-methylenecholest-7-en-9-one
RN: 143625-40-5
InChIKey: XHFAXVFEJWTPSR-LQZOCPDKSA-N

Note

  • Form marine sponge Spongia officinalis.

Molecular Formula

  • C28-H46-O4

Molecular Weight

  • 446.667
 
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Names and Synonyms

Name of Substance

  • 9,11-Seco-3,6,11-trihydroxy-24-methylenecholest-7-en-9-one

Synonym

  • 9,11-Symco

Systematic Name

  • 9,11-Secoergosta-7,24(28)-dien-9-one, 3,6,11-trihydroxy-, (3beta,5alpha,6alpha)-

Registry Numbers

CAS Registry Number

  • 143625-40-5

System Generated Number

  • 0143625405

Structure Descriptors

InChI

1S/C28H46O4/c1-17(2)18(3)7-8-19(4)22-9-10-23(27(22,5)13-14-29)21-16-25(31)24-15-20(30)11-12-28(24,6)26(21)32/h16-17,19-20,22-25,29-31H,3,7-15H2,1-2,4-6H3/t19-,20?,22-,23?,24?,25?,27-,28+/m1/s1

InChIKey

XHFAXVFEJWTPSR-LQZOCPDKSA-N

Smiles

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