Ergosta-2,4,24-trien-26-oic acid, 6,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (6β,17α,22R)-

CAS Registry Number®

81644-34-0
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CAS Name

Ergosta-2,4,24-trien-26-oic acid, 6,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (6β,17α,22R)-

Molecular Formula

C28H38O7

Molecular Mass

486.60

Cite this Page

Ergosta-2,4,24-trien-26-oic acid, 6,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (6β,17α,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81644-34-0 (retrieved 2024-08-21) (CAS RN: 81644-34-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22+,24-,25+,26-,27+,28-/m0/s1

InChIKey

InChIKey=IBJZGHYOMSKIJB-TWLFGGHSSA-N

SMILES

C[C@@]12[C@](O)([C@]3([C@](CC1)([C@]4(C)C([C@H](O)C3)=CC=CC4=O)[H])[H])CC[C@]2([C@@](C)(O)[C@]5(CC(C)=C(C)C(=O)O5)[H])O

Canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CCC3(O)C4CC(O)C5=CC=CC(=O)C5(C)C4CCC32C

Other Names for this Substance

  • Ergosta-2,4,24-trien-26-oic acid, 6,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (6β,17α,22R)-
  • Withaperuvin C

Deleted or Replaced CAS Registry Numbers

110429-55-5