| Properties | Image |
|---|
| MNX_ID | MNXM166281 |
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| reference | sabiorkM:26325 |
| formula | C21H30O2 |
| global charge | 0 |
| mol weight | 314.469 |
| InChIKey | YLEUWNOTNJZCBN-XAAPQAIWSA-N |
| InChI | InChI=1S/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15+,17-,18+,19-,20+,21+/m1/s1 |
| SMILES | C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CC[C@H](O)C4)[C@H]3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15+,17-,18+,19-,20+,21+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]#[C:4][C@:21]1([OH:23])[CH2:10][CH2:8][C@H:18]2[C@@H:19]3[C@H:13]([CH3:2])[CH2:11][C:14]4=[C:16]([CH2:6][CH2:5][C@H:15]([OH:22])[CH2:12]4)[C@H:17]3[CH2:7][CH2:9][C@@:20]21[CH3:3] |
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