Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-

CAS Registry Number®

152645-85-7

CAS Name

Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-

Molecular Formula

C28H38O11

Molecular Mass

550.59

Cite this Page

Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152645-85-7 (retrieved 2024-11-24) (CAS RN: 152645-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O11/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/h8,11,13-14,16,18-23,31-33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,22-,23+,26+,27-,28+/m1/s1

InChIKey

InChIKey=SXRILXHNZYONKW-XZXXSJTKSA-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)CC(=O)[C@H]5O)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]

Canonical SMILES

O=C(OC1C(=O)OC2CC3C(C)CC(=O)C(O)C3(C)C4C(O)C(O)C5(OCC24C15)C(=O)OC)C=C(C)C(C)C

Other Names for this Substance

  • Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-
  • Picrasan-21-oic acid, 15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, [1β,11β,12α,15β(E)]-
  • 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picrasan-21-oic acid deriv.
  • Bruceanol E
  • (+)-Bruceanol E

CAS INSIGHTSTM
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