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Substance Name: Methyl 3,12-bis(acetyloxy)-6-oxochol-7-en-24-oate
RN: 64219-22-3
InChIKey: DFHONFBSIXLQBU-OHEZICFTSA-N

Molecular Formula

  • C29-H42-O7

Molecular Weight

  • 502.6438
 
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Names and Synonyms

Synonym

  • NSC 268218

Systematic Name

  • Methyl 3,12-bis(acetyloxy)-6-oxochol-7-en-24-oate

Registry Numbers

CAS Registry Number

  • 64219-22-3

System Generated Number

  • 0064219223

Structure Descriptors

InChI

1S/C29H42O7/c1-16(7-10-27(33)34-6)21-8-9-22-20-14-25(32)24-13-19(35-17(2)30)11-12-28(24,4)23(20)15-26(29(21,22)5)36-18(3)31/h14,16,19,21-24,26H,7-13,15H2,1-6H3/t16?,19-,21-,22+,23+,24+,26+,28-,29-/m1/s1

InChIKey

DFHONFBSIXLQBU-OHEZICFTSA-N

Smiles

CC(CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C