Brusatol

CAS Registry Number®

14907-98-3

CAS Name

Brusatol

Molecular Formula

C26H32O11

Molecular Mass

520.53

Cite this Page

Brusatol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14907-98-3 (retrieved 2024-11-22) (CAS RN: 14907-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1

InChIKey

InChIKey=ZZZYHIMVKOHVIH-VILODJCFSA-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)=O)[H])(C(C)=C(O)C(=O)C5)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]

Canonical SMILES

O=C(OC1C(=O)OC2CC3C(=C(O)C(=O)CC3(C)C4C(O)C(O)C5(OCC24C15)C(=O)OC)C)C=C(C)C

Other Names for this Substance

  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,16-dioxo-, methyl ester, (11β,12α,15β)-
  • 2H-3,11cβ-(Epoxymethano)phenanthro[10,1-bc]pyran-3α(3aβH)-carboxylic acid, 1,4,5,6aβ,7,7aα,10,11,11a,11bα-decahydro-1β,2α,4β,9-tetrahydroxy-8,11aβ-dimethyl-5,10-dioxo-, methyl ester, 4-(3-methylcrotonate)
  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxo-, methyl ester, (11β,12α,15β)-
  • Crotonic acid, 3-methyl-, 4-ester with methyl 1,4,5,6aβ,7,7aα,10,11,11a,11bα-decahydro-1β,2α,4β,9-tetrahydroxy-8,11aβ-dimethyl-5,10-dioxo-2H-3,11cβ-(epoxymethano)phenanthro[10,1-bc]pyran-3α(3aβH)-carboxylate
  • Brusatol

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Deleted or Replaced CAS Registry Numbers

11027-43-3

CAS INSIGHTSTM
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