For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

[(1S,4aS)-1,4a-dimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3,4-bis(oxidanyl)benzoate

View entire compound with spectra: 1 MS (GC)

[(1S,4aS)-1,4a-dimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3,4-bis(oxidanyl)benzoate
SpectraBase Compound ID HoDpRtA1wSI
InChI InChI=1S/C27H30O6/c1-15(2)18-12-16-7-9-21-26(3,10-5-11-27(21,4)22(16)24(31)23(18)30)14-33-25(32)17-6-8-19(28)20(29)13-17/h6-9,12-13,15,28-29,31H,5,10-11,14H2,1-4H3/t26-,27+/m1/s1
InChIKey UNVAVUJKWGNUOH-SXOMAYOGSA-N
Mol Weight 450.53 g/mol
Molecular Formula C27H30O6
Exact Mass 450.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 45JtvBUaCcF
Name [(1S,4aS)-1,4a-dimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3,4-bis(oxidanyl)benzoate
Alternate Name(s) [(1S,4aS)-5-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3,4-dihydroxybenzoate [(1S,4aS)-5-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxo-3,4-dihydro-2H-phenanthren-1-yl]methyl 3,4-dihydroxybenzoate 3,4-Dihydroxybenzoic acid [(1S,4aS)-5-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl ester
CAS Registry Number 66700-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O6
InChI InChI=1S/C27H30O6/c1-15(2)18-12-16-7-9-21-26(3,10-5-11-27(21,4)22(16)24(31)23(18)30)14-33-25(32)17-6-8-19(28)20(29)13-17/h6-9,12-13,15,28-29,31H,5,10-11,14H2,1-4H3/t26-,27+/m1/s1
InChIKey UNVAVUJKWGNUOH-SXOMAYOGSA-N
Molecular Weight 450.531 g/mol
SMILES Oc1cc(ccc1O)C(OC[C@@]1(C=2[C@@](C3=C(C(=O)C(=CC3=CC2)C(C)C)O)(CCC1)C)C)=O
SPLASH splash10-056v-9670000000-a67864ba419558d75fe8
Source of Spectrum H-61-714-0
Wiley ID 1387799