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(6aS,7aR,8R,9R,11aR,11bS)-5-Chloro-6a,7a,8,9,11a,11b-hexahydro-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6H,11H-pyrano[3′,4′:4,5]furo[2,3-h]-2-benzopyran-6,11-dione

CAS Registry Number®

1098081-38-9

CAS Name

(6aS,7aR,8R,9R,11aR,11bS)-5-Chloro-6a,7a,8,9,11a,11b-hexahydro-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6H,11H-pyrano[3′,4′:4,5]furo[2,3-h]-2-benzopyran-6,11-dione

Molecular Formula

C23H27ClO6

Molecular Mass

434.91

Cite this Page

(6aS,7aR,8R,9R,11aR,11bS)-5-Chloro-6a,7a,8,9,11a,11b-hexahydro-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6H,11H-pyrano[3′,4′:4,5]furo[2,3-h]-2-benzopyran-6,11-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1098081-38-9 (retrieved 2024-12-29) (CAS RN: 1098081-38-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95-97 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H27ClO6/c1-6-11(2)7-8-14-9-15-16(10-28-14)17-18-21(26)29-13(4)12(3)23(18,27)30-22(17,5)20(25)19(15)24/h7-13,17-18,27H,6H2,1-5H3/b8-7+/t11-,12+,13+,17+,18-,22-,23+/m0/s1

InChIKey

InChIKey=VFAOIGZBHFMFIU-XSKLMDGHSA-N

SMILES

C[C@@]12[C@@]([C@@]3([C@](O)(O1)[C@H](C)[C@@H](C)OC3=O)[H])(C=4C(=C(Cl)C2=O)C=C(/C=C/[C@H](CC)C)OC4)[H]

Canonical SMILES

O=C1OC(C)C(C)C2(O)OC3(C(=O)C(Cl)=C4C=C(OC=C4C3C12)C=CC(C)CC)C

Other Names for this Substance

  • 6H,11H-Pyrano[3′,4′:4,5]furo[2,3-h]-2-benzopyran-6,11-dione, 5-chloro-6a,7a,8,9,11a,11b-hexahydro-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-, (6aS,7aR,8R,9R,11aR,11bS)-
  • (6aS,7aR,8R,9R,11aR,11bS)-5-Chloro-6a,7a,8,9,11a,11b-hexahydro-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6H,11H-pyrano[3′,4′:4,5]furo[2,3-h]-2-benzopyran-6,11-dione
  • Chaetomugilin D
  • 12-Deoxychaetomugilin A

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