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4-Benzyoloxy-2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid, methyl ester
SpectraBase Compound ID 8QtEaDzeccY
InChI InChI=1S/C28H30O11/c1-12-14-9-16-27-11-37-28(25(35)36-3,22(32)18(31)20(27)26(14,2)10-15(29)17(12)30)21(27)19(24(34)38-16)39-23(33)13-7-5-4-6-8-13/h4-8,14,16,18-22,30-32H,9-11H2,1-3H3/t14-,16+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1
InChIKey TUKVWIYSWDDKKX-QQHLYMAWSA-N
Mol Weight 542.54 g/mol
Molecular Formula C28H30O11
Exact Mass 542.178812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HB6xYiG3sBS
Name 4-Benzyoloxy-2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid, methyl ester
Alternate Name(s) Picras-3-en-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.)- Bruceantarin Methyl 3-(benzoyloxy)-15,16-dihydroxy-9,13-dimethyl-4,10,11-trioxo-5,18-dioxapentacyclo[12.5.0.0(1,6).0(2,17).0(8,13)]nonadecane-17-carboxylate Picras-3-en-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- Yadanzioside M NSC 175399
CAS Registry Number 41451-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O11
InChI InChI=1S/C28H30O11/c1-12-14-9-16-27-11-37-28(25(35)36-3,22(32)18(31)20(27)26(14,2)10-15(29)17(12)30)21(27)19(24(34)38-16)39-23(33)13-7-5-4-6-8-13/h4-8,14,16,18-22,30-32H,9-11H2,1-3H3/t14-,16+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1
InChIKey TUKVWIYSWDDKKX-QQHLYMAWSA-N
Molecular Weight 542.537 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@@]3([C@](C(=C(C(C3)=O)O)C)(C[C@@]3([C@@]22[C@]([C@@]1(OC2)C(=O)OC)([C@](C(O3)=O)(OC(=O)c1ccccc1)[H])[H])[H])[H])C)[H])(O)[H])[H]
SPLASH splash10-0zgl-6911100000-40b74ff129ea95325462
Source of Spectrum KO-8-363-0
Wiley ID 1404823