| SpectraBase Compound ID | 3kI7ixW2pLa |
|---|---|
| InChI | InChI=1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21+,22-,25-,26+,27-/m0/s1 |
| InChIKey | LRMHPGVONLYGQD-GGQWBCBCSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C27H40O3 |
| Exact Mass | 412.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8zAj1BAjVxC |
|---|---|
| Name | Epitaondiol |
| CAS Registry Number | 75598-52-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O3 |
| InChI | InChI=1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21+,22-,25-,26+,27-/m0/s1 |
| InChIKey | LRMHPGVONLYGQD-GGQWBCBCSA-N |
| Molecular Weight | 412.614 g/mol |
| SMILES | Oc1cc2c(O[C@@]3([C@@]([C@@]4(CC[C@]5(C([C@](CC[C@@]5([C@]4(CC3)[H])C)(O)[H])(C)C)[H])C)(C2)[H])C)c(c1)C |
| SPLASH | splash10-0bt9-5940500000-7ae3a1a92cced6d2c67e |
| Source of Spectrum | J-46-26-0 |
| Wiley ID | 1374649 |