| Properties | Image |
|---|
| MNX_ID | MNXM1190483 |
 |
| reference | envipathM:...6cafdc76e760 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | BORWWRPRYQPUDK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-52(61)66-43(41-64-51(60)38-31-24-21-22-28-33-44(55)48(59)40-50-49(67-50)37-9-6-3)42-65-54(63)47(58)36-30-26-25-29-35-46(57)53(62)45(56)34-27-11-8-5-2/h12-13,15-16,27,34,43-47,49-50,53,55-58,62H,4-11,14,17-26,28-33,35-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC1OC1CCCC)COC(=O)C(O)CCCCCCC(O)C(O)C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-52(61)66-43(41-64-51(60)38-31-24-21-22-28-33-44(55)48(59)40-50-49(67-50)37-9-6-3)42-65-54(63)47(58)36-30-26-25-29-35-46(57)53(62)45(56)34-27-11-8-5-2/h12-13,15-16,27,34,43-47,49-50,53,55-58,62H,4-11,14,17-26,28-33,35-42H2,1-3H3/b13-12?,16-15?,34-27?/t43?,44?,45?,46?,47?,49?,50?,53? |
 |
| 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:52](=[O:61])[O:66][CH:43]([CH2:41][O:64][C:51]([CH2:38][CH2:31][CH2:24][CH2:21][CH2:22][CH2:28][CH2:33][CH:44]([C:48]([CH2:40][CH:50]1[CH:49]([CH2:37][CH2:9][CH2:6][CH3:3])[O:67]1)=[O:59])[OH:55])=[O:60])[CH2:42][O:65][C:54]([CH:47]([CH2:36][CH2:30][CH2:26][CH2:25][CH2:29][CH2:35][CH:46]([CH:53]([CH:45]([CH:34]=[CH:27][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[OH:62])[OH:57])[OH:58])=[O:63] |
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