Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5β,6α,17α,22R)-

CAS Registry Number®

78286-00-7

CAS Name

Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5β,6α,17α,22R)-

Molecular Formula

C28H39ClO7

Molecular Mass

523.06

Cite this Page

Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5β,6α,17α,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78286-00-7 (retrieved 2024-11-25) (CAS RN: 78286-00-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H39ClO7/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-19(29)27(34)9-6-7-20(30)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-19,21,32-35H,8-14H2,1-5H3/t17-,18+,19-,21+,23-,24-,25-,26+,27+,28-/m0/s1

InChIKey

InChIKey=DSFWZSDSZFDOMA-KMMUWFSYSA-N

SMILES

O[C@]12[C@]3([C@@]([C@]4(C)[C@](O)([C@@H](Cl)C3)CC=CC4=O)(CC[C@]1(C)[C@@]([C@@](C)(O)[C@]5(CC(C)=C(C)C(=O)O5)[H])(O)CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5β,6α,17α,22R)-
  • 4-Deoxyphysalolactone

Deleted or Replaced CAS Registry Numbers

81395-59-7

CAS INSIGHTSTM
Hourglass and a clock