(6S,7E,9R)-6,9-Dihydroxy-4,7-megastigmadien-3-one 9-O-[β-D-xylopyranosyl-(1→6)-glucopyranoside]

CAS Registry Number®

126221-59-8

CAS Name

(6S,7E,9R)-6,9-Dihydroxy-4,7-megastigmadien-3-one 9-O-[β-D-xylopyranosyl-(1→6)-glucopyranoside]

Molecular Formula

C24H38O12

Molecular Mass

518.55

Cite this Page

(6S,7E,9R)-6,9-Dihydroxy-4,7-megastigmadien-3-one 9-O-[β-D-xylopyranosyl-(1→6)-glucopyranoside].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126221-59-8 (retrieved 2024-11-24) (CAS RN: 126221-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3/b6-5+/t12-,14-,15-,16+,17-,18+,19-,20-,21+,22-,24-/m1/s1

InChIKey

InChIKey=ZHAMWJWQXSZIAQ-ZEXCXVRASA-N

SMILES

C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1)[C@H]2O[C@@H](O[C@@H](/C=C/[C@]3(O)C(C)(C)CC(=O)C=C3C)C)[C@H](O)[C@@H](O)[C@@H]2O

Canonical SMILES

O=C1C=C(C)C(O)(C=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C)C(C)(C)C1

Other Names for this Substance

  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E,3R)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]-, (4S)-
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-1-butenyl]-, [S-[R*,S*-(E)]]-
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E,3R)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-1-butenyl]-, (4S)-
  • (4S)-4-Hydroxy-3,5,5-trimethyl-4-[(1E,3R)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-1-buten-1-yl]-2-cyclohexen-1-one
  • (6S,7E,9R)-6,9-Dihydroxy-4,7-megastigmadien-3-one 9-O-[β-D-xylopyranosyl-(1→6)-glucopyranoside]

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