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Substance Name: Regelin D
RN: 121880-07-7
InChIKey: GSCDCVRGFONNJZ-RSWZQJPJSA-N

Note

  • From Tripterygium regelii.

Molecular Formula

  • C31-H48-O4

Molecular Weight

  • 484.716
 
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Names and Synonyms

Name of Substance

  • Regelin D

Synonym

  • Methyl 3-oxo-22-hydroxyolean-12-ene-29-oate

Systematic Name

  • Olean-12-en-29-oic acid, 22-hydroxy-3-oxo-, methyl ester, (20alpha,22alpha)-

Registry Numbers

CAS Registry Number

  • 121880-07-7

System Generated Number

  • 0121880077

Structure Descriptors

InChI

1S/C31H48O4/c1-26(2)21-11-14-31(7)22(29(21,5)13-12-23(26)32)10-9-19-20-17-27(3,25(34)35-8)18-24(33)28(20,4)15-16-30(19,31)6/h9,20-22,24,33H,10-18H2,1-8H3/t20-,21?,22-,24+,27-,28-,29+,30-,31-/m1/s1

InChIKey

GSCDCVRGFONNJZ-RSWZQJPJSA-N

Smiles

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