| Properties | Image |
|---|
| MNX_ID | MNXM1192125 |
 |
| reference | envipathM:...843f986c378e |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | QMCCKKXXEMLYNS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-51(58)63-42(40-61-49(56)36-28-25-21-23-26-34-45-48(65-45)39-47-44(64-47)33-9-6-3)41-62-50(57)37-31-30-32-43(55)52(59)53(60)54-46(66-54)35-27-22-11-8-5-2/h12-13,22,27,42-48,52-55,59-60H,4-11,14-21,23-26,28-41H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCC(O)C(O)C(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-51(58)63-42(40-61-49(56)36-28-25-21-23-26-34-45-48(65-45)39-47-44(64-47)33-9-6-3)41-62-50(57)37-31-30-32-43(55)52(59)53(60)54-46(66-54)35-27-22-11-8-5-2/h12-13,22,27,42-48,52-55,59-60H,4-11,14-21,23-26,28-41H2,1-3H3/b13-12?,27-22?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:29][CH2:38][C:51](=[O:58])[O:63][CH:42]([CH2:40][O:61][C:49]([CH2:36][CH2:28][CH2:25][CH2:21][CH2:23][CH2:26][CH2:34][CH:45]1[CH:48]([CH2:39][CH:47]2[CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[O:64]2)[O:65]1)=[O:56])[CH2:41][O:62][C:50]([CH2:37][CH2:31][CH2:30][CH2:32][CH:43]([CH:52]([CH:53]([CH:54]1[CH:46]([CH2:35][CH:27]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:60])[OH:59])[OH:55])=[O:57] |
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