| SpectraBase Compound ID | L5ypSPwGwZR |
|---|---|
| InChI | InChI=1S/C27H40O2/c1-17-8-7-9-18-16-21-26(5)13-10-19-24(2,3)22(28)12-14-25(19,4)20(26)11-15-27(21,6)29-23(17)18/h7-9,19-22,28H,10-16H2,1-6H3/t19-,20?,21?,22-,25-,26+,27-/m0/s1 |
| InChIKey | FIKKTVKIWARAGD-LWRLGYOKSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C27H40O2 |
| Exact Mass | 396.302831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 70fLIndj1NF |
|---|---|
| Name | 16,24-Cyclo-D(17a)-homo-17a-oxachola-16,20(22),23-trien-23-ol, 4,4,8-trimethyl-, (5.alpha.,13.alpha.)- |
| CAS Registry Number | 82509-65-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O2 |
| InChI | InChI=1S/C27H40O2/c1-17-8-7-9-18-16-21-26(5)13-10-19-24(2,3)22(28)12-14-25(19,4)20(26)11-15-27(21,6)29-23(17)18/h7-9,19-22,28H,10-16H2,1-6H3/t19-,20?,21?,22-,25-,26+,27-/m0/s1 |
| InChIKey | FIKKTVKIWARAGD-LWRLGYOKSA-N |
| Molecular Weight | 396.615 g/mol |
| SMILES | O[C@@]1(C([C@@]2(CC[C@]3(C4[C@](Oc5c(C4)cccc5C)(C)CCC3[C@]2(CC1)C)C)[H])(C)C)[H] |
| SPLASH | splash10-052b-0948000000-5e7885ad8cd60adf4cae |
| Source of Spectrum | F-38-726-0 |
| Synonyms | 16,24-Cyclo-D(17a)-homo-17a-oxachola-16,20(22),23-trien-23-ol, 4,4,8-trimethyl-, (5.alpha.)- 16,24-Cyclo-D(17a)-homo-17a-oxachola-16,20(22),23-trien-23-ol, 4,4,8-trimethyl-, (5.alpha.,14.beta.)- 11'-Desoxyisotaondiol (2S,4aR,6aS,12bR,14aR)-1,1,4a,6a,8,12b-hexamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H-naphtho[2,1-a]xanthen-2-ol 11'-Desoxyepitaondiol 11'-Desoxytaondiol 1H-Naphtho[2,1-a]xanthene, 16,24-cyclo-D(17a)-homo-17a-oxachola-16,20(22),23-trien-23-ol deriv. |
| Wiley ID | 1367752 |