(8S,8aS,15aR,15bR,16S)-16-(Acetyloxy)-8a,15a-dihydro-4,11-dihydroxy-8a-methoxy-6,9-dimethyl-7H-8,15b-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e′]bis[2]benzopyran-3,7,12,15(8H)-tetrone

CAS Registry Number®

1732-37-2

CAS Name

(8S,8aS,15aR,15bR,16S)-16-(Acetyloxy)-8a,15a-dihydro-4,11-dihydroxy-8a-methoxy-6,9-dimethyl-7H-8,15b-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e′]bis[2]benzopyran-3,7,12,15(8H)-tetrone

Molecular Formula

C29H22O11

Molecular Mass

546.48

Cite this Page

(8S,8aS,15aR,15bR,16S)-16-(Acetyloxy)-8a,15a-dihydro-4,11-dihydroxy-8a-methoxy-6,9-dimethyl-7H-8,15b-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e′]bis[2]benzopyran-3,7,12,15(8H)-tetrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1732-37-2 (retrieved 2024-11-22) (CAS RN: 1732-37-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H22O11/c1-9-5-14(32)18-20-15(9)23(34)21-25(40-11(3)30)28(20,8-39-27(18)36)24-22(33)12-7-38-26(35)17-13(31)6-10(2)19(16(12)17)29(21,24)37-4/h5-7,21,24-25,31-32H,8H2,1-4H3/t21-,24+,25-,28-,29+/m0/s1

InChIKey

InChIKey=WBQDAYWQELBEPU-FKKRYKJISA-N

SMILES

O(C(C)=O)[C@@H]1[C@]23[C@@]4([C@](OC)([C@]1(C(=O)C=5C2=C(C(=O)OC3)C(O)=CC5C)[H])C=6C=7C(C4=O)=COC(=O)C7C(O)=CC6C)[H]

Canonical SMILES

O=C1OC=C2C(=O)C3C(OC)(C4=C2C1=C(O)C=C4C)C5C(=O)C=6C(=CC(O)=C7C(=O)OCC3(C76)C5OC(=O)C)C

Other Names for this Substance

  • 7H-8,15b-Methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e′]bis[2]benzopyran-3,7,12,15(8H)-tetrone, 16-(acetyloxy)-8a,15a-dihydro-4,11-dihydroxy-8a-methoxy-6,9-dimethyl-, (8S,8aS,15aR,15bR,16S)-
  • 7H-8,15b-Methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e′]bis[2]benzopyran-3,7,12,15(8βH)-tetrone, 8a,15aβ-dihydro-4,11,16β-trihydroxy-8aβ-methoxy-6,9-dimethyl-, 16-acetate
  • Duclauxin
  • (8S,8aS,15aR,15bR,16S)-16-(Acetyloxy)-8a,15a-dihydro-4,11-dihydroxy-8a-methoxy-6,9-dimethyl-7H-8,15b-methano-1H,3H,12H-benzo[de]cyclohepta[1,2-g:3,4,5-d'e′]bis[2]benzopyran-3,7,12,15(8H)-tetrone
  • NSC 258308

View All

Deleted or Replaced CAS Registry Numbers

20675-61-0

CAS INSIGHTSTM
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