| SpectraBase Compound ID | LdC6WxaK6E |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)22-10-16-29(7)23(28(22,6)18-13-25(31)32)12-17-30(8)24(29)11-15-27(5)14-9-20(3)21(4)26(27)30/h19,21-24,26H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22-,23+,24-,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | CXSHYRUNEXVKRX-OBHNEMDBSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BhpOIqrYyQt |
|---|---|
| Name | 3-[(1S,2S,4aR,4bS,6aS,10R,10aS,10bS,12aR)-1,4a,6a,10,10b-pentamethyl-9-methylene-2-propan-2-yl-3,4,4b,5,6,7,8,10,10a,11,12,12a-dodecahydro-2H-chrysen-1-yl]propanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)22-10-16-29(7)23(28(22,6)18-13-25(31)32)12-17-30(8)24(29)11-15-27(5)14-9-20(3)21(4)26(27)30/h19,21-24,26H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22-,23+,24-,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | CXSHYRUNEXVKRX-OBHNEMDBSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | OC(CC[C@@]1([C@]2(CC[C@]3([C@]([C@@]2(CC[C@]1(C(C)C)[H])C)(CC[C@@]1([C@@]3([C@](C(CC1)=C)(C)[H])[H])C)[H])C)[H])C)=O |
| SPLASH | splash10-0006-0009000000-105284b1a11ceeae24c2 |
| Source of Spectrum | X2-68-1498-22 |
| Synonyms | 3-[(1S,2S,4aR,4bS,6aS,10R,10aS,10bS,12aR)-1,4a,6a,10,10b-pentamethyl-9-methylidene-2-propan-2-yl-3,4,4b,5,6,7,8,10,10a,11,12,12a-dodecahydro-2H-chrysen-1-yl]propanoic acid 3-[(1S,2S,4aR,4bS,6aS,10R,10aS,10bS,12aR)-2-isopropyl-1,4a,6a,10,10b-pentamethyl-9-methylene-3,4,4b,5,6,7,8,10,10a,11,12,12a-dodecahydro-2H-chrysen-1-yl]propanoic acid 3-[(1S,2S,4aR,4bS,6aS,10R,10aS,10bS,12aR)-2-isopropyl-1,4a,6a,10,10b-pentamethyl-9-methylene-3,4,4b,5,6,7,8,10,10a,11,12,12a-dodecahydro-2H-chrysen-1-yl]propionic acid |
| Wiley ID | 1609735 |