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Substance Name: Regelindiol A
RN: 121880-08-8
InChIKey: PQBJUPQYHXRZJY-XCAOBBIWSA-N

Note

  • From Tripterygium regelii.

Molecular Weight

  • 486.732
 
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Names and Synonyms

Name of Substance

  • Regelindiol A

Synonym

  • Methyl 3,22-dihydroxyurs-12-ene-30-oate

Systematic Name

  • Urs-12-en-30-oic acid, 3,22-dihydroxy-, methyl ester, (3beta,22alpha)-

Registry Numbers

CAS Registry Number

  • 121880-08-8

System Generated Number

  • 0121880088

Structure Descriptors

InChI

1S/C31H50O4/c1-18-19(26(34)35-8)17-24(33)29(5)15-16-30(6)20(25(18)29)9-10-22-28(4)13-12-23(32)27(2,3)21(28)11-14-31(22,30)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19+,21?,22+,23-,24-,25+,28-,29-,30+,31+/m0/s1

InChIKey

PQBJUPQYHXRZJY-XCAOBBIWSA-N

Smiles

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