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Substance Name: (3beta,20alpha)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
RN: 10379-72-3
InChIKey: MPDGHEJMBKOTSU-IDZWEYSVSA-N

Molecular Formula

  • C30-H46-O4

Molecular Weight

  • 470.689
 
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Names and Synonyms

Synonym

  • EINECS 233-838-2

Systematic Name

  • (3beta,20alpha)-3-Hydroxy-11-oxoolean-12-en-29-oic acid

Registry Numbers

CAS Registry Number

  • 10379-72-3

System Generated Number

  • 0010379723

Structure Descriptors

InChI

1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27+,28-,29+,30+/m0/s1

InChIKey

MPDGHEJMBKOTSU-IDZWEYSVSA-N

Smiles

C12=CC([C@@H]3[C@@]4([C@H](C(C)(C)[C@H](CC4)O)CC[C@@]3(C)[C@@]2(CC[C@@]2([C@H]1C[C@@](C(=O)O)(C)CC2)C)C)C)=O