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Benz[f]azulen-8-ol, tetradecahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethenyl)-, acetate, (1.alpha.,3a.beta.,4a.beta.,8.alpha.,8a.alpha.,10a.alpha.)-(+)-
SpectraBase Compound ID 6b6FPqByNLR
InChI InChI=1S/C22H34O2/c1-14(2)17-9-11-21(5)13-19-15(3)7-8-20(24-16(4)23)22(19,6)12-10-18(17)21/h17-20H,1,3,7-13H2,2,4-6H3/t17-,18-,19+,20-,21+,22-/m0/s1
InChIKey BOHPVBSZMYXQAH-ZEOIANDVSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4stFi57jMQb
Name Benz[F]azulen-8-ol, tetradecahydro-3A,8A-dimethyl-5-methylene-1-(1-methylethenyl)-, acetate, (1.alpha.,3A.beta.,4A.beta.,8.alpha.,8A.alpha.,10A.alpha.)-(+)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.255880333 u
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-14(2)17-9-11-21(5)13-19-15(3)7-8-20(24-16(4)23)22(19,6)12-10-18(17)21/h17-20H,1,3,7-13H2,2,4-6H3/t17-,18-,19+,20-,21+,22-/m0/s1
InChIKey BOHPVBSZMYXQAH-ZEOIANDVSA-N
Molecular Weight 330.512 g/mol
SMILES [C@@]12([C@](C[C@]3(CC[C@]([C@@]3(CC2)[H])(C(=C)C)[H])C)(C(=C)CC[C@@]1(OC(=O)C)[H])[H])C