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TRIPTOBENZENE-D;18-(4->3)-ABEO-ABIETA-3,8,11,13-TETRAENE-18-OIC-ACID
SpectraBase Compound ID Gde7C3dBKg1
InChI InChI=1S/C20H26O2/c1-12(2)14-5-8-18-15(11-14)6-7-17-13(3)16(19(21)22)9-10-20(17,18)4/h5,8,11-12,17H,6-7,9-10H2,1-4H3,(H,21,22)/t17-,20-/m0/s1
InChIKey AVELPKSDGFIWLJ-PXNSSMCTSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7RJBfQjBEu
Name 2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, (4aS-trans)-
CAS Registry Number 80114-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-12(2)14-5-8-18-15(11-14)6-7-17-13(3)16(19(21)22)9-10-20(17,18)4/h5,8,11-12,17H,6-7,9-10H2,1-4H3,(H,21,22)/t17-,20-/m0/s1
InChIKey AVELPKSDGFIWLJ-PXNSSMCTSA-N
Molecular Weight 298.426 g/mol
SMILES OC(C=1CC[C@]2([C@](C1C)(CCc1c2ccc(C(C)C)c1)[H])C)=O
SPLASH splash10-0019-0960000000-ec49cfd1721e8e724d08
Source of Spectrum I-59-2682-0
Synonyms (4aS,10aS)-7-isopropyl-1,4a-dimethyl-3,4,4a,9,10,10a-hexahydro-2-phenanthrenecarboxylic acid 18-Norabieta-3,8,11,13-tetraene-3-oic acid
Wiley ID 1301494