CAS Registry Number®
39012-20-9
CAS Name
Picroside II
Molecular Formula
C23H28O13
Molecular Mass
512.46
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
- 6-Vanilloylcatalpol
- Vanilloyl catalpol
- Ampicoside
- kutkin II
Deleted or Replaced CAS Registry Numbers
51014-55-2
