| SpectraBase Spectrum ID |
2sbwurzxGM2 |
| Name |
Fraction 4 (20-tert-Butyl-N-cyano-.beta.-dihydrothevinol) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36N2O4 |
| InChI |
InChI=1S/C27H36N2O4/c1-23(2,3)24(4,30)18-14-25-9-10-27(18,32-6)22-26(25)11-12-29(15-28)19(25)13-16-7-8-17(31-5)21(33-22)20(16)26/h7-8,18-19,22,30H,9-14H2,1-6H3/t18-,19-,22+,24?,25-,26+,27+/m0/s1 |
| InChIKey |
BNIUSDKOHBJDSD-IJCWWKPDSA-N |
| Molecular Weight |
452.595 g/mol |
| SMILES |
OC([C@]1([C@]2([C@]3([C@]45[C@]([C@@](N(CC5)C#N)(Cc5c4c(c(OC)cc5)O3)[H])(C1)CC2)[H])OC)[H])(C(C)(C)C)C |
| SPLASH |
splash10-0r00-6309100000-3835358a0a647278ae68 |
| Source of Spectrum |
F-54-9148-10 |
| Synonyms |
(2R)-2-[(14R,15R,16S)-5-cyano-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.1(2,8).0(1,6).0(2,14).0(12,20)]icosa-8(20),9,11-trien-16-yl]-3,3-dimethyl-2-butanol |
| Wiley ID |
808105 |
