| Properties | Image |
|---|
| MNX_ID | MNXM166031 |
 |
| reference | biggM:CE1293 |
| formula | C27H44O2 |
| global charge | 0 |
| mol weight | 400.647 |
| InChIKey | GNWMMBWMZLEFJT-KXVNWASDSA-N |
| InChI | InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8-9,18-19,21,23-25,28-29H,5-7,10-17H2,1-4H3/t18?,19-,21+,23-,24-,25?,26+,27-/m1/s1 |
| SMILES | CC(CO)CCC[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8-9,18-19,21,23-25,28-29H,5-7,10-17H2,1-4H3/t18?,19-,21+,23-,24-,25?,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH2:6][CH2:5][CH2:7][C@@H:19]([CH3:2])[C@H:23]1[CH2:10][CH2:11][C@@H:24]2[C:22]3=[CH:9][CH:8]=[C:20]4[CH2:16][C@@H:21]([OH:29])[CH2:12][CH2:14][C@:26]4([CH3:3])[CH:25]3[CH2:13][CH2:15][C@:27]12[CH3:4])[CH2:17][OH:28] |
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