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Substance Name: Allobetulinol, formate
RN: 6861-08-1
InChIKey: GPCFJIKAFROGKY-CKSJEZBRSA-N

Molecular Formula

  • C31-H50-O3

Molecular Weight

  • 470.733
 
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Names and Synonyms

Results Name

  • Allobetulinol, formate

Synonyms

  • 18alpha-Oleanan-3beta-ol, 19beta,28-epoxy-, formate
  • 19,28-Epoxyoleanan-3-ol formate, (3beta,18alpha,19beta)-
  • Allobetulinol, formate

Systematic Name

  • Oleanan-3-ol, 19,28-epoxy-, formate, (3beta,18alpha,19beta)-

Registry Numbers

CAS Registry Number

  • 6861-08-1

System Generated Number

  • 0006861081

Structure Descriptors

InChI

1S/C31H50O3/c1-26(2)14-16-31-17-15-29(6)20(24(31)25(26)33-18-31)8-9-22-28(5)12-11-23(34-19-32)27(3,4)21(28)10-13-30(22,29)7/h19-25H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25-,28+,29-,30-,31-/m1/s1

InChIKey

GPCFJIKAFROGKY-CKSJEZBRSA-N

Smiles

CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](OC=O)C(C)(C)[C@@H]6CC[C@@]45C)[C@H]2[C@H]1OC3