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Substance Name: 24-Methylcholestane-3,5,6,22,24-pentol 6-acetate
RN: 96736-31-1
InChIKey: DSWIQYPNVUWDSX-HRVLZDRUSA-N

Note

  • From coral Asterospicularia randalli.

Molecular Weight

  • 508.735
 
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Names and Synonyms

Name of Substance

  • 24-Methylcholestane-3,5,6,22,24-pentol 6-acetate

Synonym

  • 24-Mcpa

Registry Numbers

CAS Registry Number

  • 96736-31-1

System Generated Number

  • 0096736311

Structure Descriptors

InChI

1S/C30H52O6/c1-17(2)29(7,34)16-25(33)18(3)22-8-9-23-21-14-26(36-19(4)31)30(35)15-20(32)10-13-28(30,6)24(21)11-12-27(22,23)5/h17-18,20-26,32-35H,8-16H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26+,27+,28+,29?,30-/m0/s1

InChIKey

DSWIQYPNVUWDSX-HRVLZDRUSA-N

Smiles

C1[C@@H](C[C@@]2(O)[C@@](C1)(C)[C@@H]1[C@@H](C[C@H]2OC(C)=O)[C@H]2[C@](C)(CC1)[C@@H]([C@@H]([C@H](O)C[C@@](C(C)C)(O)C)C)CC2)O