Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-
CAS Registry Number®
101910-72-9
CAS Name
Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-Molecular Formula
C28H36O11Molecular Mass
548.58Cite this Page
Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=101910-72-9 (retrieved ) (CAS RN: 101910-72-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1
InChIKey
InChIKey=PCKQDAAUYVCTJJ-XYGKKIDYSA-N
SMILES
C(OC)(=O)[C@]12[C@]3([C@]4([C@@]([C@]5(C)[C@@](C[C@]4(OC(=O)[C@@H]3OC(/C=C(/C(C)C)\C)=O)[H])([C@H](C)C=C(O)C5=O)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]
Canonical SMILES
O=C(OC1C(=O)OC2CC3C(C=C(O)C(=O)C3(C)C4C(O)C(O)C5(OCC24C15)C(=O)OC)C)C=C(C)C(C)C
Other Names for this Substance
- Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-
- Picras-2-en-21-oic acid, 15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, [11β,12α,15β(E)]-
- 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-2-en-21-oic acid deriv.
- Yadanzioside N aglycone
- Bruceanol F
Deleted or Replaced CAS Registry Numbers
106685-03-4