| SpectraBase Spectrum ID |
2BTCAG9PeEU |
| Name |
Benzyl 3-Hydroxysecotrinerviten-2-yl Ether isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38O2 |
| InChI |
InChI=1S/C27H38O2/c1-20-10-9-16-26(4)18-22(3)27(5,17-15-21(2)14-13-20)25(24(26)28)29-19-23-11-7-6-8-12-23/h6-8,10-12,14,24-25,28H,3,9,13,15-19H2,1-2,4-5H3/b20-10+,21-14+/t24?,25?,26-,27?/m0/s1 |
| InChIKey |
BDAOWOKVMZHCCB-HQKFYHGSSA-N |
| Molecular Weight |
394.599 g/mol |
| SMILES |
OC1[C@]2(CC\C=C\(C\C=C\(CCC(C(C2)=C)(C1OCc1ccccc1)C)C)C)C |
| SPLASH |
splash10-0006-9000000000-021aeb909583c9404ecc |
| Source of Spectrum |
J-56-4524-2 |
| Synonyms |
(11S)-13-(benzyloxy)-1,4,7,11-tetramethyl-14-methylenebicyclo[9.2.2]pentadeca-4,7-dien-12-ol |
| Wiley ID |
1366889 |
