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13-Methyl-14R-acetoxy-13,14-seco-totaran-13-one
SpectraBase Compound ID 59sBUtLDEMr
InChI InChI=1S/C23H40O3/c1-15(2)21(26-17(4)25)18-10-12-20-22(5,6)13-8-14-23(20,7)19(18)11-9-16(3)24/h15,18-21H,8-14H2,1-7H3/t18-,19+,20?,21-,23-/m1/s1
InChIKey VNZBPCYURYNHFQ-OODFZBMISA-N
Mol Weight 364.6 g/mol
Molecular Formula C23H40O3
Exact Mass 364.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xhSTJMCiuX
Name 13-Methyl-14R-acetoxy-13,14-seco-totaran-13-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O3
InChI InChI=1S/C23H40O3/c1-15(2)21(26-17(4)25)18-10-12-20-22(5,6)13-8-14-23(20,7)19(18)11-9-16(3)24/h15,18-21H,8-14H2,1-7H3/t18-,19+,20?,21-,23-/m1/s1
InChIKey VNZBPCYURYNHFQ-OODFZBMISA-N
Molecular Weight 364.570 g/mol
SMILES [C@@]12([C@]([C@@]([C@](OC(=O)C)(C(C)C)[H])([H])CCC2C(C)(C)CCC1)(CCC(=O)C)[H])C
SPLASH splash10-01ba-9864000000-4bfdfd2cdfd7730d79fa
Source of Spectrum KC-61-988-12
Synonyms (1R)-1-[(1S,2R,8aR)-5,5,8a-trimethyl-1-(3-oxobutyl)decahydro-2-naphthalenyl]-2-methylpropyl acetate
Wiley ID 1627328