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

CAS Registry Number®

32450-26-3
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CAS Name

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

Molecular Formula

C28H40O6

Molecular Mass

472.61

Cite this Page

(3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-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=32450-26-3 (retrieved 2024-09-06) (CAS RN: 32450-26-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h13,15-16,20-22,32H,8-12,14H2,1-7H3/t15-,16-,20+,21+,22+,27+,28+/m0/s1

InChIKey

InChIKey=NTPNSKLZWVYKGK-WWURSIHSSA-N

SMILES

C[C@@]12[C@@]3([C@](C)(OC4=C(C3)C(=O)C=C([C@@H](C([C@H](CC)C)=O)C)C4=O)CC[C@]1(O[C@@H]([C@](C)(C)O)CC2)[H])[H]

Canonical SMILES

O=C1C=C(C(=O)C=2OC3(C)CCC4OC(CCC4(C)C3CC12)C(O)(C)C)C(C(=O)C(C)CC)C

Other Names for this Substance

  • Pyrano[3,2-a]xanthene-8,11-dione, 9-[(1S,3S)-1,3-dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl-, (3R,4aR,6aR,12aR,12bR)-
  • Cochlioquinone A, 20-de(acetyloxy)-11-deoxy-20-oxo-
  • Pyrano[3,2-a]xanthene-8,11-dione, 9-(1,3-dimethyl-2-oxopentyl)-1,2,3,4aα,5,6,6a,12,12aα,12b-decahydro-3β-(1-hydroxy-1-methylethyl)-6aβ,12bβ-dimethyl-, stereoisomer
  • (3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione
  • Cochlioquinone B