| SpectraBase Compound ID | 5JIdlTLvbWn |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-7-15-35-28-26(32)17-22(20(3)27(28)33)11-10-21-9-8-14-30(6)24(12-13-25(21)30)19(2)16-23(31)18-29(4,5)34/h10-11,19,24-28,32-34H,3,7-9,12-18H2,1-2,4-6H3/b21-10+,22-11-/t19-,24?,25?,26-,27-,28?,30-/m1/s1 |
| InChIKey | YZEDQLVDONFBHJ-HIFPIPNJSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | NLZYrXkbSH |
|---|---|
| Name | (6R)-6-((7ar,E)-4-((Z)-2-((3R,5R)-3,5-Dihydroxy-2-methylene-4-propoxycyclohexylidene)ethylidene)-7A-methyloctahydro-1H-inden-1-yl)-2-hydroxy-2-methylheptan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.350174641 u |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-7-15-35-28-26(32)17-22(20(3)27(28)33)11-10-21-9-8-14-30(6)24(12-13-25(21)30)19(2)16-23(31)18-29(4,5)34/h10-11,19,24-28,32-34H,3,7-9,12-18H2,1-2,4-6H3/b21-10+,22-11-/t19-,24?,25?,26-,27-,28?,30-/m1/s1 |
| InChIKey | YZEDQLVDONFBHJ-HIFPIPNJSA-N |
| Molecular Weight | 488.709 g/mol |
| SMILES | C1[C@](C([C@@](C(\C1=C\C=C\1C2[C@](CCC1)(C(CC2)[C@](C)(CC(CC(C)(C)O)=O)[H])C)=C)(O)[H])OCCC)(O)[H] |