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Substance Name: 3-Hydroxy-2,3-dihydrowithanolide F
RN: 87168-24-9
InChIKey: BQRGHHNBIPOTTJ-DVKLICRISA-N

Note

  • An ergostane (not ergosterol) from Withania coagulans.

Molecular Weight

  • 488.617
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-2,3-dihydrowithanolide F

Synonyms

  • 3-HDH-withanolide F
  • 3beta-Hydroxy-2,3-dihydrowithanolide F

Systematic Name

  • Ergosta-5,24-dien-26-oic acid, 3,14,17,20,22-pentahydroxy-1-oxo-, (3beta,17alpha,22R)-

Registry Numbers

CAS Registry Number

  • 87168-24-9

System Generated Number

  • 0087168249

Structure Descriptors

InChI

1S/C28H40O7/c1-15-12-22(35-23(31)16(15)2)26(5,32)28(34)11-10-27(33)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32-34H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28-/m1/s1

InChIKey

BQRGHHNBIPOTTJ-DVKLICRISA-N

Smiles

C=1(C)C[C@@H](OC(C1C)=O)[C@@]([C@@]1(CC[C@@]2([C@@H]3CC=C4C[C@H](CC([C@@]4([C@H]3CC[C@@]12C)C)=O)O)O)O)(C)O