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Substance Name: Methyl tormentate
RN: 13850-15-2
InChIKey: RQWXHGLRDYGNGZ-VOQAAXNNSA-N

Molecular Formula

  • C31-H50-O5

Molecular Weight

  • 502.731
 
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Names and Synonyms

Results Name

  • Methyl tormentate

Synonyms

  • Methyl 2alpha,3beta,19-trihydroxyurs-12-en-28-oate
  • Methyl tormentate

Systematic Name

  • Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, methyl ester, (2alpha,3beta)-

Registry Numbers

CAS Registry Number

  • 13850-15-2

Other Registry Number

  • 11008-00-7

System Generated Number

  • 0013850152

Structure Descriptors

InChI

1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21?,22-,23+,24+,27+,28-,29-,30-,31+/m1/s1

InChIKey

RQWXHGLRDYGNGZ-VOQAAXNNSA-N