(6aS)-5-Chloro-9-[(2R,3R)-3-hydroxy-2-methyl-1-oxobutyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione

CAS Registry Number®

128252-98-2

CAS Name

(6aS)-5-Chloro-9-[(2R,3R)-3-hydroxy-2-methyl-1-oxobutyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione

Molecular Formula

C23H25ClO6

Molecular Mass

432.89

Cite this Page

(6aS)-5-Chloro-9-[(2R,3R)-3-hydroxy-2-methyl-1-oxobutyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=128252-98-2 (retrieved 2024-11-04) (CAS RN: 128252-98-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157-158 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H25ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,25H,6H2,1-5H3/b8-7+/t11-,12+,13+,23-/m0/s1

InChIKey

InChIKey=HWSQVPGTQUYLEQ-LYUOGRNPSA-N

SMILES

C[C@]12C(C=3C(=C(Cl)C1=O)C=C(/C=C/[C@H](CC)C)OC3)=C(C([C@@H]([C@@H](C)O)C)=O)C(=O)O2

Canonical SMILES

O=C1OC2(C(=O)C(Cl)=C3C=C(OC=C3C2=C1C(=O)C(C)C(O)C)C=CC(C)CC)C

Other Names for this Substance

  • 6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 5-chloro-9-[(2R,3R)-3-hydroxy-2-methyl-1-oxobutyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-, (6aS)-
  • 6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 5-chloro-9-(3-hydroxy-2-methyl-1-oxobutyl)-6a-methyl-3-(3-methyl-1-pentenyl)-, [6aS-[3(1E,3R*),6aR*,9(2R*,3S*)]]-
  • 6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 5-chloro-9-[(2R,3R)-3-hydroxy-2-methyl-1-oxobutyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-pentenyl]-, (6aS)-
  • (6aS)-5-Chloro-9-[(2R,3R)-3-hydroxy-2-methyl-1-oxobutyl]-6a-methyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
  • Chaetoviridin A

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