| SpectraBase Compound ID | 4d5M0auA7yC |
|---|---|
| InChI | InChI=1S/C26H40O2/c1-17(2)6-7-19(4)23-12-13-24-22(25(28)14-15-26(23,24)5)11-9-20-16-21(27)10-8-18(20)3/h6-8,10,16-17,19,22-25,27-28H,9,11-15H2,1-5H3/b7-6+/t19-,22+,23-,24+,25-,26-/m1/s1 |
| InChIKey | YRVRPIWMDMUJBK-JTOPQAQZSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C26H40O2 |
| Exact Mass | 384.302831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2MWLFNEWpON |
|---|---|
| Name | Calicoferol H |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H40O2 |
| InChI | InChI=1S/C26H40O2/c1-17(2)6-7-19(4)23-12-13-24-22(25(28)14-15-26(23,24)5)11-9-20-16-21(27)10-8-18(20)3/h6-8,10,16-17,19,22-25,27-28H,9,11-15H2,1-5H3/b7-6+/t19-,22+,23-,24+,25-,26-/m1/s1 |
| InChIKey | YRVRPIWMDMUJBK-JTOPQAQZSA-N |
| Molecular Weight | 384.604 g/mol |
| SMILES | Oc1ccc(c(CC[C@]2([C@]3([C@](CC[C@]2(O)[H])([C@](CC3)([C@@](\C=C\C(C)C)(C)[H])[H])C)[H])[H])c1)C |
| SPLASH | splash10-001i-1903000000-9f609ede59bf50011986 |
| Source of Spectrum | G4-61-1443-4 |
| Synonyms | (1R,3aS,4S,5R,7aR)-1-[(E,1R)-1,4-dimethylpent-2-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-[(E,2R)-5-methylhex-3-en-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol (1R,3aS,4S,5R,7aR)-7a-methyl-1-[(E,2R)-5-methylhex-3-en-2-yl]-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol |
| Wiley ID | 1607577 |