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Substance Name: Baccharisol
RN: 71718-23-5
UNII: YNK989993G
InChIKey: GVZIONLFUHXCGG-FNZSONIPSA-N

Molecular Formula

  • C29-H40-O10

Molecular Weight

  • 548.625
 
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Names and Synonyms

Name of Substance

  • Baccharisol

Synonyms

  • Baccharinoid B 7
  • Baccharisol
  • UNII-YNK989993G
  • Verrucarin A, 7'-deoxo-8-hydroxy-7'-((1S)-1-hydroxyethyl)-, (2'R,7'R,8R)-
  • Verrucarin A, 7'-deoxo-8-hydroxy-7'-(1-hydroxyethyl)-, (2'R,7'R(R),8R)-

Registry Numbers

CAS Registry Number

  • 71718-23-5

FDA UNII

  • YNK989993G

System Generated Number

  • 0071718235

Structure Descriptors

InChI

1S/C29H40O10/c1-16-9-10-35-20(18(3)30)7-5-6-8-24(32)39-21-12-23-29(15-37-29)27(21,4)28(14-36-26(34)25(16)33)13-19(31)17(2)11-22(28)38-23/h5-8,11,16,18-23,25,30-31,33H,9-10,12-15H2,1-4H3/b7-5+,8-6-/t16-,18+,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1

InChIKey

GVZIONLFUHXCGG-FNZSONIPSA-N

Smiles

C[C@H](O)[C@@H]1OCC[C@@H](C)[C@H](O)C(=O)OC[C@]23C[C@@H](O)C(=C[C@H]2O[C@@H]4C[C@@H](OC(=O)\C=C/C=C/1)[C@@]3(C)[C@]45CO5)C