Sclerotiorin

CAS Registry Number®

549-23-5

CAS Name

Sclerotiorin

Molecular Formula

C21H23ClO5

Molecular Mass

390.86

Cite this Page

Sclerotiorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=549-23-5 (retrieved 2024-12-04) (CAS RN: 549-23-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206-207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1

InChIKey

InChIKey=SWJLTKXURNHVHE-UPWXJBBJSA-N

SMILES

O=C1C=2C(=C(Cl)C(=O)[C@@]1(OC(C)=O)C)C=C(/C=C/C(=C/[C@H](CC)C)/C)OC2

Canonical SMILES

O=C(OC1(C(=O)C(Cl)=C2C=C(OC=C2C1=O)C=CC(=CC(C)CC)C)C)C

Other Names for this Substance

  • 6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-, (7R)-
  • 6H-2-Benzopyran-6,8(7H)-dione, 5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7-hydroxy-7-methyl-, acetate
  • Sclerotiorin
  • 6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7-methyl-, [R-[R*,S*-(E,E)]]-
  • 6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-7-methyl-, (7R)-

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Deleted or Replaced CAS Registry Numbers

4701-87-5, 25926-48-1, 34725-97-8

CAS INSIGHTSTM
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