| SpectraBase Spectrum ID |
Ba5YqH1njgX |
| Name |
Calicoferol E |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O2 |
| InChI |
InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20?,23-,24+,25-,27+/m0/s1 |
| InChIKey |
OZROZYIBIZOAQQ-ACKXLEBFSA-N |
| Molecular Weight |
398.631 g/mol |
| SMILES |
Oc1cc(CC[C@]2([C@]3([C@@]([C@](CC3)(C(CCCC(C)C)C)[H])(CCC2=O)C)[H])[H])c(cc1)C |
| SPLASH |
splash10-0f8a-0911000000-06967fc5d80d1b29d3e1 |
| Source of Spectrum |
G4-58-1295-4 |
| Synonyms |
(1R,3aS,4S,7aR)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
(1R,3aS,4S,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-2,3,3a,4,6,7-hexahydro-1H-inden-5-one |
| Wiley ID |
1605995 |
