| SpectraBase Compound ID | ER8Er5CS1N9 |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-18-19(2)25-20-9-10-23-28(6)13-12-24(32)26(3,4)22(28)11-14-30(23,8)29(20,7)16-15-27(25,5)17-21(18)31/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21-,22+,23-,24+,25+,27+,28+,29-,30-/m1/s1 |
| InChIKey | BRSGFKGWKATOQT-QULSTBSOSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dbemw4Sx2Cb |
|---|---|
| Name | Gmeliniin A |
| Alternate Name(s) | (1S,3R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1,4a,6a,6b,9,9,12a-heptamethyl-2-methylenedocosahydropicene-3,10-diol (3S,4aR,6aR,6aR,6bR,8aS,10R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,10-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-18-19(2)25-20-9-10-23-28(6)13-12-24(32)26(3,4)22(28)11-14-30(23,8)29(20,7)16-15-27(25,5)17-21(18)31/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21-,22+,23-,24+,25+,27+,28+,29-,30-/m1/s1 |
| InChIKey | BRSGFKGWKATOQT-QULSTBSOSA-N |
| Literature Reference DOI | 10.1002/cjoc.20000180119 |
| Molecular Weight | 442.728 g/mol |
| SMILES | O[C@@]1(C([C@@]2(CC[C@]3([C@@]4(CC[C@]5(C[C@](C([C@]([C@]5([C@]4(CC[C@@]3([C@]2(CC1)C)[H])[H])[H])(C)[H])=C)(O)[H])C)C)C)[H])(C)C)[H] |
| SPLASH | splash10-0a4l-9300000000-4e331414755a9412102f |
| Source of Spectrum | CJC-18-114-1 |
| Wiley ID | 1773467 |