| Properties | Image |
|---|
| MNX_ID | MNXM35530 |
 |
| reference | chebi:166801 |
| formula | C27H46O2 |
| global charge | 0 |
| mol weight | 402.663 |
| InChIKey | MCKLJFJEQRYRQT-BEOVMOENSA-N |
| InChI | InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21?,22?,23?,24-,25-,26-,27-/m0/s1 |
| SMILES | CC(C)CCC[C@](C)(O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21?,22?,23?,24-,25-,26-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[CH2:7][CH2:6][CH2:14][C@@:27]([CH3:5])([C@H:24]1[CH2:11][CH2:10][CH:22]2[CH:21]3[CH2:9][CH:8]=[C:19]4[CH2:17][C@@H:20]([OH:28])[CH2:12][CH2:15][C@:25]4([CH3:3])[CH:23]3[CH2:13][CH2:16][C@@:26]21[CH3:4])[OH:29] |
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