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Substance Name: Abrusogenin
RN: 124962-07-8
InChIKey: IPIKCTWGPWLVBN-PTOBDFHPSA-N

Molecular Formula

  • C30-H44-O5

Molecular Weight

  • 484.6726
 
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Names and Synonyms

Name of Substance

  • Abrusogenin

Synonym

  • (+)-Abrusogenin

Systematic Name

  • 9,19-Cyclolanost-24-ene-26,28-dioicacid, 3,22-dihydroxy-, d-lactone, (3b,4a,22S)-

Registry Numbers

CAS Registry Number

  • 124962-07-8

System Generated Number

  • 0124962078

Structure Descriptors

InChI

1S/C30H44O5/c1-17-6-7-20(35-24(17)32)18(2)19-10-12-27(4)21-8-9-22-28(5,25(33)34)23(31)11-13-29(22)16-30(21,29)15-14-26(19,27)3/h6,18-23,31H,7-16H2,1-5H3,(H,33,34)/t18-,19+,20-,21-,22-,23-,26+,27-,28-,29+,30-/m0/s1

InChIKey

IPIKCTWGPWLVBN-PTOBDFHPSA-N

Smiles

CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H]([C@@]6(C)C(=O)O)O)C)C