For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.
SpectraBase Compound ID 6TtJdiIzFCs
InChI InChI=1S/C26H34O12/c1-10-11-6-13-25-9-36-26(22(33)35-5,19(25)17(21(32)37-13)38-14(28)8-23(2,3)34)20(31)16(30)18(25)24(11,4)7-12(27)15(10)29/h11,13,16-20,29-31,34H,6-9H2,1-5H3/t11-,13+,16-,17+,18+,19+,20-,24-,25+,26-/m0/s1
InChIKey MPGYSNPPBGDFMG-MUMACWSTSA-N
Mol Weight 538.5 g/mol
Molecular Formula C26H34O12
Exact Mass 538.205027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2txfLyqogS6
Name 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.
CAS Registry Number 99133-08-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O12
InChI InChI=1S/C26H34O12/c1-10-11-6-13-25-9-36-26(22(33)35-5,19(25)17(21(32)37-13)38-14(28)8-23(2,3)34)20(31)16(30)18(25)24(11,4)7-12(27)15(10)29/h11,13,16-20,29-31,34H,6-9H2,1-5H3/t11-,13+,16-,17+,18+,19+,20-,24-,25+,26-/m0/s1
InChIKey MPGYSNPPBGDFMG-MUMACWSTSA-N
Molecular Weight 538.546 g/mol
SMILES O[C@]1([C@]([C@@]2([C@@]3([C@@](C[C@@]4([C@@]22[C@@]([C@@](OC(CC(O)(C)C)=O)(C(O4)=O)[H])([C@@]1(OC2)C(=O)OC)[H])[H])(C(=C(C(C3)=O)O)C)[H])C)[H])(O)[H])[H]
SPLASH splash10-0f89-7532910000-c1be579abab7969ef80f
Source of Spectrum AJ-58-2679-18
Synonyms Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-(3-hydroxy-3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.)- 15-O-(3-hydroxy-3-methylbutanoyl)-bruceolide Methyl (1R,2S,3R,6R,8R,13S,14R,15S,16S,17S)-10,15,16-trihydroxy-3-[(3-hydroxy-3-methylbutanoyl)oxy]-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0(1,6).0(2,17).0(8,13)]nonadec-9-ene-17-carboxylate
Wiley ID 1404290