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Substance Name: (3beta,4alpha,16alpha)-3,16,23-Trihydroxyolean-12-en-28-oic acid
RN: 52936-64-8
InChIKey: FABOBEOYNMHSHB-UAWZMHPWSA-N

Molecular Formula

  • C30-H48-O5

Molecular Weight

  • 488.704
 
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Names and Synonyms

Synonym

  • EINECS 258-265-5

Systematic Name

  • (3beta,4alpha,16alpha)-3,16,23-Trihydroxyolean-12-en-28-oic acid

Registry Numbers

CAS Registry Number

  • 52936-64-8

System Generated Number

  • 0052936648

Structure Descriptors

InChI

1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1

InChIKey

FABOBEOYNMHSHB-UAWZMHPWSA-N

Smiles

C=12[C@@H]3CC(C)(C)CC[C@]3(C(=O)O)[C@@H](C[C@@]2([C@@]2([C@@H]([C@@]3(CC[C@@H]([C@@]([C@@H]3CC2)(CO)C)O)C)CC1)C)C)O