| SpectraBase Compound ID | 99IUqGZ5Vxv |
|---|---|
| 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/h7,9,11,17,20,23-26,28-29H,6,8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1 |
| InChIKey | ZPCCPRPWNOOZTC-DKQGWWAXSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FTPG41hOpOp |
|---|---|
| Name | Calicoferol G |
| Copyright | Copyright © 2020-2024 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/h7,9,11,17,20,23-26,28-29H,6,8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1 |
| InChIKey | ZPCCPRPWNOOZTC-DKQGWWAXSA-N |
| Molecular Weight | 398.631 g/mol |
| SMILES | Oc1ccc(c(CC[C@]2([C@]3([C@](CC[C@]2(O)[H])([C@](CC3)([C@@](CCC=C(C)C)(C)[H])[H])C)[H])[H])c1)C |
| SPLASH | splash10-0089-0901000000-fe26f8c86ef2a3ffef26 |
| Source of Spectrum | G4-61-1442-3 |
| Synonyms | (1R,3aS,4S,5R,7aR)-1-[(1R)-1,5-dimethylhex-4-enyl]-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-ol (1R,3aS,4S,5R,7aR)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol (1R,3aS,4S,5R,7aR)-7a-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol |
| Wiley ID | 1607578 |