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Methyl 14R-acetoxy-13,14-seco-totaran-13-oate
SpectraBase Compound ID 3VBtCZnoVxp
InChI InChI=1S/C23H40O4/c1-15(2)21(27-16(3)24)17-9-11-19-22(4,5)13-8-14-23(19,6)18(17)10-12-20(25)26-7/h15,17-19,21H,8-14H2,1-7H3/t17-,18+,19?,21-,23-/m1/s1
InChIKey CPLQVLLXLMHPBI-HBJUJSCYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwggvFPgIH5
Name Methyl 14R-acetoxy-13,14-seco-totaran-13-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-15(2)21(27-16(3)24)17-9-11-19-22(4,5)13-8-14-23(19,6)18(17)10-12-20(25)26-7/h15,17-19,21H,8-14H2,1-7H3/t17-,18+,19?,21-,23-/m1/s1
InChIKey CPLQVLLXLMHPBI-HBJUJSCYSA-N
Molecular Weight 380.569 g/mol
SMILES [C@@]12([C@]([C@@]([C@](OC(=O)C)(C(C)C)[H])([H])CCC2C(C)(C)CCC1)(CCC(=O)OC)[H])C
SPLASH splash10-015i-7944000000-194cbf703479799c6984
Source of Spectrum KC-61-988-13
Synonyms Methyl 3-{(1S,2R,8aR)-2-[(1R)-1-(acetyloxy)-2-methylpropyl]-5,5,8a-trimethyldecahydro-1-naphthalenyl}propanoate
Wiley ID 1627327