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Substance Name: Urs-12-en-28-oic acid, 3-oxo-
RN: 6246-46-4
InChIKey: MUCRYNWJQNHDJH-LWIALTINSA-N

Molecular Formula

  • C30-H46-O3

Molecular Weight

  • 454.6904
 
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Names and Synonyms

Synonym

  • 3-Oxours-12-en-28-oic acid

Systematic Name

  • Urs-12-en-28-oic acid, 3-oxo-

Registry Numbers

CAS Registry Number

  • 6246-46-4

System Generated Number

  • 0006246464

Structure Descriptors

InChI

1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,24-,27+,28-,29-,30+/m1/s1

InChIKey

MUCRYNWJQNHDJH-LWIALTINSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)C5(C)C)C)C)[C@H]2[C@H]1C)C)C(=O)O