| Properties | Image |
|---|
| MNX_ID | MNXM1197726 |
 |
| reference | envipathM:...2b26c8563d78 |
| formula | C49H84O |
| global charge | 0 |
| mol weight | 689.21 |
| InChIKey | GIYYPNPNJVSZDY-UHFFFAOYSA-N |
| InChI | InChI=1S/C49H84O/c1-3-5-7-19-22-32-45(30-6-4-2)39-40-46-35-29-36-47(46)41-43-49(50,48-37-26-27-38-48)42-28-21-18-16-14-12-10-8-9-11-13-15-17-20-23-31-44-33-24-25-34-44/h24-26,29,33-37,44-46,48,50H,3-23,27-28,30-32,38-43H2,1-2H3 |
| SMILES | CCCCCCCC(CCCC)CCC1C=CC=C1CCC(O)(CCCCCCCCCCCCCCCCCC1C=CC=C1)C1C=CCC1 |
MNX internals
| InChI (mnx) | InChI=1/C49H84O/c1-3-5-7-19-22-32-45(30-6-4-2)39-40-46-35-29-36-47(46)41-43-49(50,48-37-26-27-38-48)42-28-21-18-16-14-12-10-8-9-11-13-15-17-20-23-31-44-33-24-25-34-44/h24-26,29,33-37,44-46,48,50H,3-23,27-28,30-32,38-43H2,1-2H3/t45?,46?,48?,49? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:19][CH2:22][CH2:32][CH:45]([CH2:30][CH2:6][CH2:4][CH3:2])[CH2:39][CH2:40][CH:46]1[CH:35]=[CH:29][CH:36]=[C:47]1[CH2:41][CH2:43][C:49]([CH2:42][CH2:28][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:20][CH2:23][CH2:31][CH:44]1[CH:33]=[CH:24][CH:25]=[CH:34]1)([CH:48]1[CH:37]=[CH:26][CH2:27][CH2:38]1)[OH:50] |
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