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Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.)-
SpectraBase Compound ID IJECOWhViYr
InChI InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
InChIKey YDWODLQEUPYKGJ-LZFWDZGBSA-N
Mol Weight 480.47 g/mol
Molecular Formula C23H28O11
Exact Mass 480.163162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yvfPGiQuh5
Name Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.)-
CAS Registry Number 25514-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O11
InChI InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
InChIKey YDWODLQEUPYKGJ-LZFWDZGBSA-N
Molecular Weight 480.466 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@]3(CC(C(=C([C@@]3(C[C@@]3([C@@]22[C@]([C@@]1(OC2)C(=O)OC)([C@](C(O3)=O)(OC(=O)C)[H])[H])[H])[H])C)O)=O)C)[H])(O)[H])[H]
SPLASH splash10-0a5c-9201000000-6248280cb8db4228ddc0
Source of Spectrum KO-8-363-0
Synonyms 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid Brucein B Bruceine B Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- NSC 132793
Wiley ID 1395155