Ergosta-2,24-dien-26-oic acid, 6-chloro-4,5,14,17,20,22,23-heptahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R,23R)-

CAS Registry Number®

118194-16-4

CAS Name

Ergosta-2,24-dien-26-oic acid, 6-chloro-4,5,14,17,20,22,23-heptahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R,23R)-

Molecular Formula

C28H39ClO9

Molecular Mass

555.06

Cite this Page

Ergosta-2,24-dien-26-oic acid, 6-chloro-4,5,14,17,20,22,23-heptahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R,23R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118194-16-4 (retrieved 2025-02-19) (CAS RN: 118194-16-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H39ClO9/c1-13-14(2)22(33)38-21(20(13)32)25(5,34)27(36)11-10-26(35)16-12-17(29)28(37)19(31)7-6-18(30)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-17,19-21,31-32,34-37H,8-12H2,1-5H3/t15-,16+,17-,19-,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1

InChIKey

InChIKey=KWITZWMDVMDLJL-TULJJTAQSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 6-chloro-4,5,14,17,20,22,23-heptahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R,23R)-
  • 23-Hydroxyphysalolactone

CAS INSIGHTSTM
Lithium-ion battery