Methyl (3S,3aS,4R,6aR,7aS,8S,12aS,13R,13aR,14R,15S)-4-(acetyloxy)-4,5,6a,7,7a,8,12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-3,13-ethano-1H,10H-furo[3,4-c]furo[2′,3′:6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylate

CAS Registry Number®

82290-17-3

CAS Name

Methyl (3S,3aS,4R,6aR,7aS,8S,12aS,13R,13aR,14R,15S)-4-(acetyloxy)-4,5,6a,7,7a,8,12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-3,13-ethano-1H,10H-furo[3,4-c]furo[2′,3′:6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylate

Molecular Formula

C25H28O11

Molecular Mass

504.48

Cite this Page

Methyl (3S,3aS,4R,6aR,7aS,8S,12aS,13R,13aR,14R,15S)-4-(acetyloxy)-4,5,6a,7,7a,8,12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-3,13-ethano-1H,10H-furo[3,4-c]furo[2′,3′:6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82290-17-3 (retrieved 2025-03-05) (CAS RN: 82290-17-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H28O11/c1-9-11-5-15(27)35-13(11)7-23(3)12(9)6-14-24-8-33-25(22(31)32-4,20(29)16(28)18(23)24)19(24)17(21(30)36-14)34-10(2)26/h5,7,9,12,14,16-20,28-29H,6,8H2,1-4H3/t9-,12+,14-,16-,17-,18-,19-,20+,23+,24-,25+/m1/s1

InChIKey

InChIKey=ZZKFDOQILIXHHH-OKNMSMBGSA-N

SMILES

C(OC)(=O)[C@]12[C@]3([C@]4([C@@]([C@]5(C)[C@@](C[C@]4(OC(=O)[C@@H]3OC(C)=O)[H])([C@H](C)C=6C(=C5)OC(=O)C6)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]

Canonical SMILES

O=C1OC2=CC3(C)C(CC4OC(=O)C(OC(=O)C)C5C6(OCC45C3C(O)C6O)C(=O)OC)C(C2=C1)C

Other Names for this Substance

  • 3,13-Ethano-1H,10H-furo[3,4-c]furo[2′,3′:6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylic acid, 4-(acetyloxy)-4,5,6a,7,7a,8,12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, (3S,3aS,4R,6aR,7aS,8S,12aS,13R,13aR,14R,15S)-
  • 3,13-Ethano-1H,10H-furo[3,4-c]furo[2′,3′:6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylic acid, 4-(acetyloxy)-4,5,6a,7,7a,8,12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, [3S-(3α,3aα,4α,6aα,7aβ,8β,12aα,13α,13aS*,14S*,15R*)]-
  • Methyl (3S,3aS,4R,6aR,7aS,8S,12aS,13R,13aR,14R,15S)-4-(acetyloxy)-4,5,6a,7,7a,8,12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-3,13-ethano-1H,10H-furo[3,4-c]furo[2′,3′:6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylate
  • Sergeolide
  • NSC 344025

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CAS INSIGHTSTM
Solar power station and Coal Fired Power Station:Clean energy and coal energy