| Properties | Image |
|---|
| MNX_ID | MNXM1185385 |
 |
| reference | envipathM:...198fc353f19a |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | STHVFYSQOVFDGL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-49(59)63-42(40-61-47(57)37-30-24-21-22-29-36-45-51(64-45)43(55)33-27-11-8-5-2)41-62-48(58)38-31-26-25-28-34-44(56)52-54(66-52)50(60)53-46(65-53)35-9-6-3/h12-13,15-16,42-46,50-56,60H,4-11,14,17-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)CCCCCC)COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-49(59)63-42(40-61-47(57)37-30-24-21-22-29-36-45-51(64-45)43(55)33-27-11-8-5-2)41-62-48(58)38-31-26-25-28-34-44(56)52-54(66-52)50(60)53-46(65-53)35-9-6-3/h12-13,15-16,42-46,50-56,60H,4-11,14,17-41H2,1-3H3/b13-12?,16-15?/t42?,43?,44?,45?,46?,50?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:23][CH2:32][CH2:39][C:49](=[O:59])[O:63][CH:42]([CH2:40][O:61][C:47]([CH2:37][CH2:30][CH2:24][CH2:21][CH2:22][CH2:29][CH2:36][CH:45]1[CH:51]([CH:43]([CH2:33][CH2:27][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[O:64]1)=[O:57])[CH2:41][O:62][C:48]([CH2:38][CH2:31][CH2:26][CH2:25][CH2:28][CH2:34][CH:44]([CH:52]1[CH:54]([CH:50]([CH:53]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:60])[O:66]1)[OH:56])=[O:58] |
|