Physalolactone

CAS Registry Number®

71339-25-8
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CAS Name

Physalolactone

Molecular Formula

C28H39ClO8

Molecular Mass

539.06

Cite this Page

Physalolactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71339-25-8 (retrieved 2024-09-19) (CAS RN: 71339-25-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H39ClO8/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-18(29)28(36)20(31)7-6-19(30)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-18,20-21,31,33-36H,8-13H2,1-5H3/t16-,17+,18-,20-,21+,23-,24-,25-,26+,27-,28-/m0/s1

InChIKey

InChIKey=XCJUXWOCLLPHII-UXKAJNCKSA-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(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)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-hexahydroxy-1-oxo-, δ-lactone, (4β,5β,6α,17α,22R)-
  • Physalolactone
  • NSC 339137