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Substance Name: Thevetin C
RN: 1357089-32-7
UNII: O1GYU8J4WO
InChIKey: GRAPNMOWHGCRLX-PPVIYJMXSA-N

Molecular Formula

  • C42-H66-O19

Molecular Weight

  • 874.9644
 
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Names and Synonyms

Name of Substance

  • Thevetin C

Synonyms

  • 18,20-Oxido-20,22-dihydrothevetin B
  • Cardanolide, 18,20-epoxy-3-((o-beta-D-glucopyranosyl-(1->6)-o-beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-, (3beta,5beta,20R)-
  • Thevetin C
  • UNII-O1GYU8J4WO

Registry Numbers

CAS Registry Number

  • 1357089-32-7

FDA UNII

  • O1GYU8J4WO

System Generated Number

  • 1357089327

Structure Descriptors

InChI

1S/C42H66O19/c1-18-34(61-37-32(50)30(48)28(46)24(60-37)15-54-36-31(49)29(47)27(45)23(14-43)59-36)35(53-3)33(51)38(57-18)58-20-6-9-39(2)19(12-20)4-5-22-21(39)7-10-40-16-56-41(13-26(44)55-17-41)25(40)8-11-42(22,40)52/h18-25,27-38,43,45-52H,4-17H2,1-3H3/t18-,19+,20-,21-,22+,23+,24+,25-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

GRAPNMOWHGCRLX-PPVIYJMXSA-N

Smiles

CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]56CO[C@@]7(COC(=O)C7)[C@H]5CC[C@]46O)C2)O[C@@H](C)[C@@H]1O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O