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(3R,4aR,6aR,12S,12aS,12bR)-9-[2-(Acetyloxy)-1,3-dimethyl-3-penten-1-yl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione

CAS Registry Number®

54854-92-1
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CAS Name

(3R,4aR,6aR,12S,12aS,12bR)-9-[2-(Acetyloxy)-1,3-dimethyl-3-penten-1-yl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione

Molecular Formula

C30H42O8

Molecular Mass

530.65

Cite this Page

(3R,4aR,6aR,12S,12aS,12bR)-9-[2-(Acetyloxy)-1,3-dimethyl-3-penten-1-yl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54854-92-1 (retrieved 2024-09-20) (CAS RN: 54854-92-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160.5-161.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3

InChIKey

InChIKey=CGFWCZMBHASRBJ-UHFFFAOYSA-N

SMILES

CC12C3C(C)(OC4=C(C3O)C(=O)C=C(C(C(C(=CC)C)OC(C)=O)C)C4=O)CCC1OC(C(C)(C)O)CC2

Canonical SMILES

O=C1C=C(C(=O)C=2OC3(C)CCC4OC(CCC4(C)C3C(O)C12)C(O)(C)C)C(C)C(OC(=O)C)C(=CC)C

Other Names for this Substance

  • Pyrano[3,2-a]xanthene-8,11-dione, 9-[2-(acetyloxy)-1,3-dimethyl-3-penten-1-yl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl-, (3R,4aR,6aR,12S,12aS,12bR)-
  • Cochlioquinone A, 21,22-didehydro-, (21E)-
  • Pyrano[3,2-a]xanthene-8,11-dione, 9-[(1S,2S,3E)-2-(acetyloxy)-1,3-dimethyl-3-pentenyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl-, (3R,4aR,6aR,12S,12aS,12bR)-
  • (3R,4aR,6aR,12S,12aS,12bR)-9-[2-(Acetyloxy)-1,3-dimethyl-3-penten-1-yl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione
  • Stemphone

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Deleted or Replaced CAS Registry Numbers

11054-56-1