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Substance Name: Methyl 2-acetyltormentate
RN: 77820-51-0
InChIKey: WDLTZQAZOXFRGL-OJSNPXPSSA-N

Molecular Formula

  • C33-H52-O6

Molecular Weight

  • 544.768
 
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Names and Synonyms

Results Name

  • Methyl 2-acetyltormentate

Synonym

  • Methyl 2-acetyltormentate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77820-51-0

System Generated Number

  • 0077820510

Structure Descriptors

InChI

1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(39-20(2)34)26(35)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23?,24-,25+,26+,29+,30-,31-,32-,33+/m1/s1

InChIKey

WDLTZQAZOXFRGL-OJSNPXPSSA-N

Smiles

C1[C@H]([C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)OC)CC[C@@H](C)[C@@](C)([C@H]5C4=CC[C@H]3[C@@]12C)O)O)OC(=O)C