Picroside II

CAS Registry Number®

39012-20-9
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CAS Name

Picroside II

Molecular Formula

C23H28O13

Molecular Mass

512.46

Cite this Page

Picroside II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39012-20-9 (retrieved 2024-06-26) (CAS RN: 39012-20-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3

InChIKey

InChIKey=AKNILCMFRRDTEY-UHFFFAOYSA-N

SMILES

C(O)C12C(O1)C(OC(=O)C3=CC(OC)=C(O)C=C3)C4C2C(OC5OC(CO)C(O)C(O)C5O)OC=C4

Canonical SMILES

O=C(OC1C2OC2(CO)C3C(OC=CC13)OC4OC(CO)C(O)C(O)C4O)C5=CC=C(O)C(OC)=C5

Other Names for this Substance

  • β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
  • β-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, [1aS-(1aα,1bβ,2β,5aβ,6β,6aα)]-
  • Oxireno[4,5]cyclopenta[1,2-c]pyran, β-D-glucopyranoside deriv.
  • (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside
  • Picroside II

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Deleted or Replaced CAS Registry Numbers

51014-55-2