| Properties | Image |
|---|
| MNX_ID | MNXM1194480 |
 |
| reference | envipathM:...9dbd9a01c437 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | JKUUGAPXSSKVHN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-16-24-34-45-46(64-45)35-25-18-14-21-27-37-49(57)61-41-44(63-51(59)39-29-20-13-11-9-8-10-12-17-23-31-43(56)32-30-40-55)42-62-50(58)38-28-22-15-19-26-36-48-54(66-48)52(60)53-47(65-53)33-6-4-2/h10,12,16,24,43-48,52-56,60H,3-9,11,13-15,17-23,25-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCCCC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-16-24-34-45-46(64-45)35-25-18-14-21-27-37-49(57)61-41-44(63-51(59)39-29-20-13-11-9-8-10-12-17-23-31-43(56)32-30-40-55)42-62-50(58)38-28-22-15-19-26-36-48-54(66-48)52(60)53-47(65-53)33-6-4-2/h10,12,16,24,43-48,52-56,60H,3-9,11,13-15,17-23,25-42H2,1-2H3/b12-10?,24-16?/t43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:16]=[CH:24][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:25][CH2:18][CH2:14][CH2:21][CH2:27][CH2:37][C:49](=[O:57])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:50]([CH2:38][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:36][CH:48]2[CH:54]([CH:52]([CH:53]3[CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]3)[OH:60])[O:66]2)=[O:58])[O:63][C:51]([CH2:39][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:17][CH2:23][CH2:31][CH:43]([CH2:32][CH2:30][CH2:40][OH:55])[OH:56])=[O:59])[O:64]1 |
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