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Substance Name: alpha-Peltoboykinolic acid
RN: 24778-49-2
InChIKey: RXVRYAUOTRSYDU-RKQWDYETSA-N

Molecular Weight

  • 456.706
 
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Names and Synonyms

Name of Substance

  • alpha-Peltoboykinolic acid

Synonym

  • 3beta-Hydroxyurs-12-en-27-oic acid

Registry Numbers

CAS Registry Number

  • 24778-49-2

System Generated Number

  • 0024778492

Structure Descriptors

InChI

1S/C30H48O3/c1-18-10-13-27(5)16-17-30(25(32)33)20(24(27)19(18)2)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24-,27-,28+,29-,30-/m1/s1

InChIKey

RXVRYAUOTRSYDU-RKQWDYETSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C(=O)O)CC[C@@]5(C)CC[C@@H](C)[C@@H](C)[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O