| Properties | Image |
|---|
| MNX_ID | MNXM1178377 |
 |
| reference | envipathM:...4d80d6aa0924 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | GRGFKRYZEMARGG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-13-20-30-43(56)31-21-16-19-27-38-53(61)65-44(42-64-54(62)46(58)33-23-17-18-25-35-49-48(66-49)34-24-12-8-6-4-2)41-63-52(60)37-26-15-11-14-22-32-45(57)47(59)40-51-50(67-51)36-28-29-39-55/h9-10,12,20,24,30,43-51,55-59H,3-8,11,13-19,21-23,25-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCCO)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-13-20-30-43(56)31-21-16-19-27-38-53(61)65-44(42-64-54(62)46(58)33-23-17-18-25-35-49-48(66-49)34-24-12-8-6-4-2)41-63-52(60)37-26-15-11-14-22-32-45(57)47(59)40-51-50(67-51)36-28-29-39-55/h9-10,12,20,24,30,43-51,55-59H,3-8,11,13-19,21-23,25-29,31-42H2,1-2H3/b10-9?,24-12?,30-20?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| 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:61])[O:65][CH:44]([CH2:41][O:63][C:52]([CH2:37][CH2:26][CH2:15][CH2:11][CH2:14][CH2:22][CH2:32][CH:45]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:36][CH2:28][CH2:29][CH2:39][OH:55])[O:67]1)[OH:59])[OH:57])=[O:60])[CH2:42][O:64][C:54]([CH:46]([CH2:33][CH2:23][CH2:17][CH2:18][CH2:25][CH2:35][CH:49]1[CH:48]([CH2:34][CH:24]=[CH:12][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)[OH:58])=[O:62])[OH:56] |
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