Atractyloside B

CAS Registry Number®

126054-78-2
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CAS Name

Atractyloside B

Molecular Formula

C21H38O10

Molecular Mass

450.52

Cite this Page

Atractyloside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126054-78-2 (retrieved 2024-09-19) (CAS RN: 126054-78-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H38O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-18,22-29H,4-9H2,1-3H3

InChIKey

InChIKey=ZQIOVWYOYSNXID-UHFFFAOYSA-N

SMILES

C(O)C1(O)C2C(CC(C(OC3OC(CO)C(O)C(O)C3O)(C)C)CC1)C(C)(O)C(O)C2

Canonical SMILES

OCC1OC(OC(C)(C)C2CCC(O)(CO)C3CC(O)C(O)(C)C3C2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, 1-[(2S,3S,3aR,5R,8R,8aS)-decahydro-2,3,8-trihydroxy-8-(hydroxymethyl)-3-methyl-5-azulenyl]-1-methylethyl
  • β-D-Glucopyranoside, 1-[decahydro-2,3,8-trihydroxy-8-(hydroxymethyl)-3-methyl-5-azulenyl]-1-methylethyl, [2S-(2α,3β,3aβ,5α,8β,8aα)]-
  • 1-[(2S,3S,3aR,5R,8R,8aS)-Decahydro-2,3,8-trihydroxy-8-(hydroxymethyl)-3-methyl-5-azulenyl]-1-methylethyl β-D-glucopyranoside
  • Atractyloside B