| Properties | Image |
|---|
| MNX_ID | MNXM1187711 |
 |
| reference | envipathM:...a64564911e0c |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | WFGLGKUQCPMFLS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-50(60)66-43(40-64-48(58)36-28-20-17-18-26-34-45-46(67-45)35-27-23-24-31-42(56)39-55)41-65-49(59)37-29-22-21-25-32-44(57)51(61)52(62)53(63)54-47(68-54)33-6-4-2/h8-9,11-12,23,27,42-47,51-57,61-63H,3-7,10,13-22,24-26,28-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCC(O)CO)COC(=O)CCCCCCC(O)C(O)C(O)C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-50(60)66-43(40-64-48(58)36-28-20-17-18-26-34-45-46(67-45)35-27-23-24-31-42(56)39-55)41-65-49(59)37-29-22-21-25-32-44(57)51(61)52(62)53(63)54-47(68-54)33-6-4-2/h8-9,11-12,23,27,42-47,51-57,61-63H,3-7,10,13-22,24-26,28-41H2,1-2H3/b9-8?,12-11?,27-23?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:30][CH2:38][C:50](=[O:60])[O:66][CH:43]([CH2:40][O:64][C:48]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:18][CH2:26][CH2:34][CH:45]1[CH:46]([CH2:35][CH:27]=[CH:23][CH2:24][CH2:31][CH:42]([CH2:39][OH:55])[OH:56])[O:67]1)=[O:58])[CH2:41][O:65][C:49]([CH2:37][CH2:29][CH2:22][CH2:21][CH2:25][CH2:32][CH:44]([CH:51]([CH:52]([CH:53]([CH:54]1[CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[O:68]1)[OH:63])[OH:62])[OH:61])[OH:57])=[O:59] |
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