| Properties | Image |
|---|
| MNX_ID | MNXM165161 |
 |
| reference | metacycM:CPD-18554 |
| formula | C25H40O |
| global charge | 0 |
| mol weight | 356.594 |
| InChIKey | LMGXWBXLQIDGJE-GXMWUZMMSA-N |
| InChI | InChI=1S/C25H40O/c1-18(2)21-12-16-25(5)22(21)13-15-24(4)14-11-20(17-26)8-6-7-19(3)9-10-23(24)25/h7,11,21-23,26H,1,6,8-10,12-17H2,2-5H3/b19-7+,20-11-/t21-,22-,23-,24+,25-/m1/s1 |
| SMILES | C=C(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)C/C=C(\CO)CC/C=C(\C)CC[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C25H40O/c1-18(2)21-12-16-25(5)22(21)13-15-24(4)14-11-20(17-26)8-6-7-19(3)9-10-23(24)25/h7,11,21-23,26H,1,6,8-10,12-17H2,2-5H3/b19-7+,20-11-/t21-,22-,23-,24+,25-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:18]([CH3:2])[C@H:21]1[CH2:12][CH2:16][C@:25]2([CH3:5])[C@@H:22]1[CH2:13][CH2:15][C@:24]1([CH3:4])[CH2:14]/[CH:11]=[C:20](\[CH2:17][OH:26])[CH2:8][CH2:6]/[CH:7]=[C:19](\[CH3:3])[CH2:9][CH2:10][C@H:23]12 |
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