epi-Isochromophilone II

CAS Registry Number®

901309-50-0
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CAS Name

epi-Isochromophilone II

Molecular Formula

C22H27ClO4

Molecular Mass

390.90

Cite this Page

epi-Isochromophilone II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=901309-50-0 (retrieved 2024-09-19) (CAS RN: 901309-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9+/t13-,19-,22+/m0/s1

InChIKey

InChIKey=QEPMTPAOVMUVBT-NJCRSHSXSA-N

SMILES

C(C(C)=O)[C@H]1C=2C(=C(Cl)C(=O)[C@]1(C)O)C=C(/C=C/C(=C/[C@H](CC)C)/C)OC2

Canonical SMILES

O=C1C(Cl)=C2C=C(OC=C2C(CC(=O)C)C1(O)C)C=CC(=CC(C)CC)C

Other Names for this Substance

  • 6H-2-Benzopyran-6-one, 5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8S)-
  • 6H-2-Benzopyran-6-one, 5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8S)-
  • (7R,8S)-5-Chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-6H-2-benzopyran-6-one
  • epi-Isochromophilone II
  • epi-Isochromophilone II