| Properties | Image |
|---|
| MNX_ID | MNXM729367 |
 |
| reference | biggM:CE1294 |
| formula | C27H44O2 |
| global charge | 0 |
| mol weight | 400.647 |
| InChIKey | WGJXMUYDCGMVJH-JFWFRRLVSA-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/h8,18-19,21,23-24,28-29H,5-7,9-17H2,1-4H3/t18?,19?,21-,23?,24?,26-,27+/m0/s1 |
| SMILES | CC(CO)CCCC(C)C1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3 |
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/h8,18-19,21,23-24,28-29H,5-7,9-17H2,1-4H3/t18?,19?,21-,23?,24?,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH2:6][CH2:5][CH2:7][CH:19]([CH3:2])[CH:23]1[CH2:10][CH2:11][CH:24]2[C:22]3=[C:25]([CH2:13][CH2:15][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:14][CH2:12][C@H:21]([OH:29])[CH2:16][C:20]1=[CH:8][CH2:9]3)[CH2:17][OH:28] |
|