| 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 |
| 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 |
| Synonyms |
[(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 |
| Wiley ID |
1387799 |
![[(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](/api/spectrum/45JtvBUaCcF/structure.png?h=300&w=458 "[(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")
