| Properties | Image |
|---|
| MNX_ID | MNXM103814 |
 |
| reference | metacycM:CPD-14671 |
| formula | C27H44O2 |
| global charge | 0 |
| mol weight | 400.647 |
| InChIKey | GXXSUWZCDVJLJJ-SDRJTJMFSA-N |
| InChI | InChI=1S/C27H44O2/c1-17(2)6-11-24-27(5,29-24)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24?,25-,26-,27+/m0/s1 |
| SMILES | CC(C)CCC1O[C@]1(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O2/c1-17(2)6-11-24-27(5,29-24)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24?,25-,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:6][CH2:11][CH:24]1[C@@:27]([CH3:5])([C@H:23]2[CH2:10][CH2:9][C@H:21]3[C@@H:20]4[CH2:8][CH:7]=[C:18]5[CH2:16][C@@H:19]([OH:28])[CH2:12][CH2:14][C@:25]5([CH3:3])[C@H:22]4[CH2:13][CH2:15][C@@:26]32[CH3:4])[O:29]1 |
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