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(3S,3aS,4S,5aR,6R,9aS,9bR)-3,3a,4-trihydroxy-2-isobutyryl-6,9a-dimethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrobenzo[e]indene-6-carboxylic acid methyl ester
SpectraBase Compound ID CFyLugUQCwz
InChI InChI=1S/C21H34O6/c1-11(2)16(23)12-9-14-19(3)7-6-8-20(4,18(25)27-5)13(19)10-15(22)21(14,26)17(12)24/h11-15,17,22,24,26H,6-10H2,1-5H3/t12?,13-,14-,15+,17+,19+,20-,21+/m1/s1
InChIKey SVUMOXWYEIMPGX-YXZLVRBGSA-N
Mol Weight 382.5 g/mol
Molecular Formula C21H34O6
Exact Mass 382.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vLmMpTubjz
Name (3S,3aS,4S,5aR,6R,9aS,9bR)-3,3a,4-trihydroxy-2-isobutyryl-6,9a-dimethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrobenzo[e]indene-6-carboxylic acid methyl ester
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O6
InChI InChI=1S/C21H34O6/c1-11(2)16(23)12-9-14-19(3)7-6-8-20(4,18(25)27-5)13(19)10-15(22)21(14,26)17(12)24/h11-15,17,22,24,26H,6-10H2,1-5H3/t12?,13-,14-,15+,17+,19+,20-,21+/m1/s1
InChIKey SVUMOXWYEIMPGX-YXZLVRBGSA-N
Literature Reference Author C.D.SANTOS,J.ZUKERMAN-SCHPECTOR,P.M.IMAMURA
Literature Reference Citation J.BRAZ.CHEM.SOC.,14,998(2003)
Literature Reference DOI 10.1590/s0103-50532003000600017
Molecular Weight 382.497 g/mol
Solvent CDCl3
Source File Reference UWLU6978