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Substance Name: Petrosterol
RN: 67314-15-2
InChIKey: AOOVLQXWRHMRMX-BFPAFGTMSA-N

Note

  • Major sterol found in Petrosia ficiformis.

Molecular Weight

  • 412.697
 
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Names and Synonyms

Name of Substance

  • Petrosterol

Synonym

  • 26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24R(1S,2R))-

Systematic Name

  • 26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24R(1R,2R))-

Registry Numbers

CAS Registry Number

  • 67314-15-2

System Generated Number

  • 0067314152

Structure Descriptors

InChI

1S/C29H48O/c1-18(24-16-20(24)3)6-7-19(2)25-10-11-26-23-9-8-21-17-22(30)12-14-28(21,4)27(23)13-15-29(25,26)5/h8,18-20,22-27,30H,6-7,9-17H2,1-5H3/t18-,19-,20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1

InChIKey

AOOVLQXWRHMRMX-BFPAFGTMSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](CC[C@@H](C)[C@H]5[C@@H](C5)C)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O