(3bS,5aR,6R,7R,8S,10S,10aS,10bR)-7-[(β-D-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-6,7,10-trihydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one

CAS Registry Number®

55465-97-9

CAS Name

(3bS,5aR,6R,7R,8S,10S,10aS,10bR)-7-[(β-D-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-6,7,10-trihydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one

Molecular Formula

C26H36O11

Molecular Mass

524.56

Cite this Page

(3bS,5aR,6R,7R,8S,10S,10aS,10bR)-7-[(β-D-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-6,7,10-trihydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55465-97-9 (retrieved 2024-11-08) (CAS RN: 55465-97-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3/t11-,13-,14+,16-,17-,18+,19-,21+,22-,23-,24-,25-,26+/m1/s1

InChIKey

InChIKey=SJBDVPKAXKLGPV-UKNYEQEFSA-N

SMILES

O[C@@H]1[C@]23[C@]([C@@]4(C)[C@](CC2)(C5=C(C(=O)C4)OC=C5)[H])([C@@H](O)C[C@](C3)([C@]1(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O)[H])[H]

Canonical SMILES

O=C1C=2OC=CC2C3CCC45CC(CC(O)C4C3(C)C1)C(O)(COC6OC(CO)C(O)C(O)C6O)C5O

Other Names for this Substance

  • 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one, 7-[(β-D-glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-6,7,10-trihydroxy-10b-methyl-, (3bS,5aR,6R,7R,8S,10S,10aS,10bR)-
  • 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one, 7-[(β-D-glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-6,7,10-trihydroxy-10b-methyl-, [3bS-(3bα,5aβ,6β,7β,8β,10α,10aα,10bβ)]-
  • (3bS,5aR,6R,7R,8S,10S,10aS,10bR)-7-[(β-D-Glucopyranosyloxy)methyl]-4,5,6,7,8,9,10,10a,10b,11-decahydro-6,7,10-trihydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-12(3bH)-one
  • Mascaroside

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles