| SpectraBase Compound ID | 9SqSrNLNrAE |
|---|---|
| InChI | InChI=1S/C35H54O2/c1-21(2)25-12-15-35(8,37)29-11-10-23(17-28(25)29)16-24-18-32-33(5,6)13-9-14-34(32,7)30-20-31(36)26(22(3)4)19-27(24)30/h17,19-22,24-25,28-29,32,36-37H,9-16,18H2,1-8H3/t24-,25+,28+,29-,32+,34-,35-/m1/s1 |
| InChIKey | ZBJRPMGEEOSMIM-IKCQQGRZSA-N |
| Mol Weight | 506.8 g/mol |
| Molecular Formula | C35H54O2 |
| Exact Mass | 506.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2FTsvbAcmfb |
|---|---|
| Name | Ferrugicadinol |
| Alternate Name(s) | (4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol (4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-methyl-5-oxidanyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H54O2 |
| InChI | InChI=1S/C35H54O2/c1-21(2)25-12-15-35(8,37)29-11-10-23(17-28(25)29)16-24-18-32-33(5,6)13-9-14-34(32,7)30-20-31(36)26(22(3)4)19-27(24)30/h17,19-22,24-25,28-29,32,36-37H,9-16,18H2,1-8H3/t24-,25+,28+,29-,32+,34-,35-/m1/s1 |
| InChIKey | ZBJRPMGEEOSMIM-IKCQQGRZSA-N |
| Molecular Weight | 506.815 g/mol |
| SMILES | Oc1cc2c([C@](CC=3CC[C@]4([C@@](CC[C@]([C@@]4(C3)[H])(C(C)C)[H])(O)C)[H])(C[C@@]3([C@@]2(CCCC3(C)C)C)[H])[H])cc1C(C)C |
| SPLASH | splash10-000i-0190000000-02d81f65ae42e835ef00 |
| Source of Spectrum | G4-69-1613-1 |
| Wiley ID | 1694505 |