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PORICOIC_ACID_GM;METHYL-(20-ZETA)-16-ALPHA-HYDROXY-3,4-SECO-LANOSTA-4-(28),8,24-TRIENE-3,21-DIOIC_ACID_3-OATE
SpectraBase Compound ID 2iNmmecOTSP
InChI InChI=1S/C31H48O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,21-22,25,27,32H,3,9,11-18H2,1-2,4-8H3,(H,34,35)/t21?,22-,25+,27-,29-,30+,31-/m0/s1
InChIKey UGVHLNKATMYQSO-KGXQETAESA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H48O5
Exact Mass 500.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RylJsqQVji
Name PORICOIC_ACID_GM;METHYL-(20-ZETA)-16-ALPHA-HYDROXY-3,4-SECO-LANOSTA-4-(28),8,24-TRIENE-3,21-DIOIC_ACID_3-OATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O5
InChI InChI=1S/C31H48O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,21-22,25,27,32H,3,9,11-18H2,1-2,4-8H3,(H,34,35)/t21?,22-,25+,27-,29-,30+,31-/m0/s1
InChIKey UGVHLNKATMYQSO-KGXQETAESA-N
Literature Reference Author T.AKIHISA,E.UCHIYAMA,T.KIKUCHI,H.TOKUDA,T.SUZUKI,Y.KIMURA
Literature Reference Citation J.NAT.PROD.,72,1786(2009)
Literature Reference DOI 10.1021/np9003239
Molecular Weight 500.719 g/mol
Sample ID 33667
Solvent C5D5N