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Substance Name: Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate
RN: 51984-75-9
InChIKey: UNRVOFRDIGTQBY-CJBAOGIUSA-N

Molecular Formula

  • C37-H52-O4

Molecular Weight

  • 560.814
 
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Names and Synonyms

Synonym

  • EINECS 257-576-3

Systematic Name

  • Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate

Registry Numbers

CAS Registry Number

  • 51984-75-9

System Generated Number

  • 0051984759

Structure Descriptors

InChI

1S/C37H52O4/c1-32(2)28-13-16-37(7)30(35(28,5)15-14-29(32)39)27(38)21-25-26-22-34(4,18-17-33(26,3)19-20-36(25,37)6)31(40)41-23-24-11-9-8-10-12-24/h8-12,21,26,28-30,39H,13-20,22-23H2,1-7H3/t26-,28-,29-,30+,33+,34-,35-,36+,37+/m0/s1

InChIKey

UNRVOFRDIGTQBY-CJBAOGIUSA-N

Smiles

C(c1ccccc1)OC(=O)[C@@]1(C[C@H]2C=3[C@@]([C@@]4(CC[C@@H]5[C@@]([C@H]4C(C3)=O)(CC[C@@H](O)C5(C)C)C)C)(CC[C@@]2(CC1)C)C)C