| Properties | Image |
|---|
| MNX_ID | MNXM1196838 |
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| reference | envipathM:...a18c553feb0a |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | ZNFQCLYAFCLQRB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-3-5-7-9-10-13-20-30-43(56)31-21-16-19-27-38-53(63)67-44(42-66-54(64)48(60)35-24-18-17-23-33-46(58)45(57)32-22-12-8-6-4-2)41-65-52(62)37-26-15-11-14-25-36-50-51(68-50)40-49(61)47(59)34-28-29-39-55/h9-10,12,20,22,30,43-51,55-61H,3-8,11,13-19,21,23-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCCO)COC(=O)C(O)CCCCCCC(O)C(O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-3-5-7-9-10-13-20-30-43(56)31-21-16-19-27-38-53(63)67-44(42-66-54(64)48(60)35-24-18-17-23-33-46(58)45(57)32-22-12-8-6-4-2)41-65-52(62)37-26-15-11-14-25-36-50-51(68-50)40-49(61)47(59)34-28-29-39-55/h9-10,12,20,22,30,43-51,55-61H,3-8,11,13-19,21,23-29,31-42H2,1-2H3/b10-9?,22-12?,30-20?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:13][CH:20]=[CH:30][CH:43]([CH2:31][CH2:21][CH2:16][CH2:19][CH2:27][CH2:38][C:53](=[O:63])[O:67][CH:44]([CH2:41][O:65][C:52]([CH2:37][CH2:26][CH2:15][CH2:11][CH2:14][CH2:25][CH2:36][CH:50]1[CH:51]([CH2:40][CH:49]([CH:47]([CH2:34][CH2:28][CH2:29][CH2:39][OH:55])[OH:59])[OH:61])[O:68]1)=[O:62])[CH2:42][O:66][C:54]([CH:48]([CH2:35][CH2:24][CH2:18][CH2:17][CH2:23][CH2:33][CH:46]([CH:45]([CH2:32][CH:22]=[CH:12][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:58])[OH:60])=[O:64])[OH:56] |
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