| Properties | Image |
|---|
| MNX_ID | MNXM155423 |
 |
| reference | keggD:D02298 |
| formula | C23H34O3 |
| global charge | 0 |
| mol weight | 358.522 |
| InChIKey | REHJTMDOJHAPJV-IVTQUDKZSA-N |
| InChI | InChI=1S/C23H32O2.H2O/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4;/h14-15,17-19,25H,6-8,10-13H2,1-4H3;1H2/t15-,17+,18-,19-,21+,22-,23-;/m0./s1 |
| SMILES | CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C.O |
MNX internals
| InChI (mnx) | InChI=1/C23H32O2.H2O/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4;/h14-15,17-19,25H,6-8,10-13H2,1-4H3;1H2/t15-,17+,18-,19-,21+,22-,23-;/m0./s1 |
 |
| SMILES (mnx) | [CH3:1][C:5]#[C:9][C@:23]1([OH:25])[CH2:12][CH2:8][C@H:19]2[C@@H:17]3[CH2:13][C@H:15]([CH3:2])[C:20]4=[CH:14][C:16](=[O:24])[CH2:6][CH2:10][C@:21]4([CH3:3])[C@H:18]3[CH2:7][CH2:11][C@@:22]21[CH3:4].[OH2:26] |
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