(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-6-(Acetyloxy)-3-ethenyl-10-(β-D-glucopyranosyloxy)dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one

CAS Registry Number®

1041183-11-2
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CAS Name

(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-6-(Acetyloxy)-3-ethenyl-10-(β-D-glucopyranosyloxy)dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one

Molecular Formula

C28H44O11

Molecular Mass

556.64

Cite this Page

(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-6-(Acetyloxy)-3-ethenyl-10-(β-D-glucopyranosyloxy)dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1041183-11-2 (retrieved 2024-09-20) (CAS RN: 1041183-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H44O11/c1-8-26(5)11-14(31)21-27(6)16(38-24-19(34)18(33)17(32)15(12-29)37-24)9-10-25(3,4)22(27)20(36-13(2)30)23(35)28(21,7)39-26/h8,15-24,29,32-35H,1,9-12H2,2-7H3/t15-,16+,17-,18+,19-,20+,21-,22+,23+,24+,26+,27-,28+/m1/s1

InChIKey

InChIKey=JLNFSODBKULJEE-NEXFZGQFSA-N

SMILES

C[C@@]12[C@@]3([C@@](C)([C@@H](O)[C@@H](OC(C)=O)[C@]1(C(C)(C)CC[C@@H]2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[H])O[C@](C=C)(C)CC3=O)[H]

Canonical SMILES

O=C(OC1C(O)C2(OC(C=C)(C)CC(=O)C2C3(C)C(OC4OC(CO)C(O)C(O)C4O)CCC(C)(C)C13)C)C

Other Names for this Substance

  • 1H-Naphtho[2,1-b]pyran-1-one, 6-(acetyloxy)-3-ethenyl-10-(β-D-glucopyranosyloxy)dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aS,5S,6S,6aS,10S,10aS,10bR)-
  • (3R,4aS,5S,6S,6aS,10S,10aS,10bR)-6-(Acetyloxy)-3-ethenyl-10-(β-D-glucopyranosyloxy)dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one
  • Forskoditerpenoside C