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MULIN-12,14-DIEN-11-ON-20-OIC-ACID
SpectraBase Compound ID 7DpQLwx1Yy4
InChI InChI=1S/C20H28O3/c1-12(2)14-5-6-15-17-16(21)11-13(3)7-8-19(17,4)9-10-20(14,15)18(22)23/h7-8,11-12,14-15,17H,5-6,9-10H2,1-4H3,(H,22,23)/t14-,15?,17?,19-,20+/m1/s1
InChIKey DWLMDEDVSJIZSQ-UQKFIEMHSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DoDNcrYYuX
Name 11-Oxomulin-12,14-dien-20-oic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(2)14-5-6-15-17-16(21)11-13(3)7-8-19(17,4)9-10-20(14,15)18(22)23/h7-8,11-12,14-15,17H,5-6,9-10H2,1-4H3,(H,22,23)/t14-,15?,17?,19-,20+/m1/s1
InChIKey DWLMDEDVSJIZSQ-UQKFIEMHSA-N
Molecular Weight 316.441 g/mol
SMILES OC([C@]12C(C3C(C=C(C)C=C[C@@]3(CC2)C)=O)CC[C@@]1(C(C)C)[H])=O
SPLASH splash10-00kf-7920000000-db23defd99ab2fd16169
Source of Spectrum G4-62-1320-1
Synonyms (3R,3aS,5aS)-5a,8-dimethyl-10-oxo-3-propan-2-yl-2,3,4,5,10a,10b-hexahydro-1H-cyclohepta[g]indene-3a-carboxylic acid (3R,3aS,5aS)-3-isopropyl-5a,8-dimethyl-10-oxo-2,3,4,5,10a,10b-hexahydro-1H-cyclohepta[g]indene-3a-carboxylic acid (3R,3aS,5aS)-5a,8-dimethyl-10-oxidanylidene-3-propan-2-yl-2,3,4,5,10a,10b-hexahydro-1H-cyclohepta[g]indene-3a-carboxylic acid
Wiley ID 1608019