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20-HYDROXYLUCIDENIC-ACID-D2;(20-XI)-12-BETA-ACETOXY-20-HYDROXY-3,7,11,15-TETRAOXO-25,26,27-TRISNORLANOST-8-EN-24-OIC-ACID

View entire compound with spectra: 2 NMR, and 1 MS (GC)

20-HYDROXYLUCIDENIC-ACID-D2;(20-XI)-12-BETA-ACETOXY-20-HYDROXY-3,7,11,15-TETRAOXO-25,26,27-TRISNORLANOST-8-EN-24-OIC-ACID
SpectraBase Compound ID 9vWmKB0KCg3
InChI InChI=1S/C29H38O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-17,24,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,24+,26-,27?,28-,29-/m0/s1
InChIKey QVBJFSJKFHBAPS-MSXHNPIASA-N
Mol Weight 530.6 g/mol
Molecular Formula C29H38O9
Exact Mass 530.251583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0CJgVgQgp
Name 20-HYDROXYLUCIDENIC-ACID-D2;(20-XI)-12-BETA-ACETOXY-20-HYDROXY-3,7,11,15-TETRAOXO-25,26,27-TRISNORLANOST-8-EN-24-OIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O9
InChI InChI=1S/C29H38O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-17,24,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,24+,26-,27?,28-,29-/m0/s1
InChIKey QVBJFSJKFHBAPS-MSXHNPIASA-N
Literature Reference Author T.AKIHISA,M.TAGATA,M.UKIYA,H.TOKUDA,T.SUZUKI,Y.KIMURA
Literature Reference Citation J.NAT.PROD.,68,559(2005)
Literature Reference DOI 10.1021/np040230h
Molecular Weight 530.615 g/mol
Solvent CDCl3
Source File Reference UWMZ9616