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2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.
SpectraBase Compound ID DIlvjVZhNON
InChI InChI=1S/C23H30O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10-18,25-28H,6-7H2,1-4H3/t10-,11-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
InChIKey TWCMVXMQHSVIOJ-QPJGVDTHSA-N
Mol Weight 482.48 g/mol
Molecular Formula C23H30O11
Exact Mass 482.178812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rTmKLLSJ8Q
Name 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.
CAS Registry Number 99133-00-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O11
InChI InChI=1S/C23H30O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10-18,25-28H,6-7H2,1-4H3/t10-,11-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
InChIKey TWCMVXMQHSVIOJ-QPJGVDTHSA-N
Molecular Weight 482.482 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@@]3([C@](C(=C[C@@]([C@]3(O)[H])(O)[H])C)(C[C@@]3([C@@]22[C@]([C@@]1(OC2)C(=O)OC)([C@](C(O3)=O)(OC(=O)C)[H])[H])[H])[H])C)[H])(O)[H])[H]
SPLASH splash10-08fr-9000100000-1d470c635253c7d523fd
Source of Spectrum AJ-58-2685-14
Synonyms Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-1,2,11,12-tetrahydroxy-16-oxo-, methyl ester, (1.beta.,2.alpha.,11.beta.,12.al pha.,15.beta.)- Aglycone Methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-3-(acetyloxy)-11,12,15,16-tetrahydroxy-9,13-dimethyl-4-oxo-5,18-dioxapentacyclo[12.5.0.0(1,6).0(2,17).0(8,13)]nonadec-9-ene-17-carboxylate
Wiley ID 1395553