| Properties | Image |
|---|
| MNX_ID | MNXM1184972 |
 |
| reference | envipathM:...82ac65f8951c |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | XHPASUWVXNSYTM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-2-32-47(59)54-50(67-54)41-49-48(66-49)35-26-18-14-21-28-37-52(61)64-43-44(65-53(62)38-29-19-11-9-7-5-3-4-6-8-10-12-22-30-39-55)42-63-51(60)36-27-20-13-16-24-33-45(57)46(58)34-25-17-15-23-31-40-56/h3-4,8,10,17,25,40,44-50,54-55,57-59H,2,5-7,9,11-16,18-24,26-39,41-43H2,1H3 |
| SMILES | CCCC(O)C1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC=O)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-2-32-47(59)54-50(67-54)41-49-48(66-49)35-26-18-14-21-28-37-52(61)64-43-44(65-53(62)38-29-19-11-9-7-5-3-4-6-8-10-12-22-30-39-55)42-63-51(60)36-27-20-13-16-24-33-45(57)46(58)34-25-17-15-23-31-40-56/h3-4,8,10,17,25,40,44-50,54-55,57-59H,2,5-7,9,11-16,18-24,26-39,41-43H2,1H3/b4-3?,10-8?,25-17?/t44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:32][CH:47]([CH:54]1[CH:50]([CH2:41][CH:49]2[CH:48]([CH2:35][CH2:26][CH2:18][CH2:14][CH2:21][CH2:28][CH2:37][C:52](=[O:61])[O:64][CH2:43][CH:44]([CH2:42][O:63][C:51]([CH2:36][CH2:27][CH2:20][CH2:13][CH2:16][CH2:24][CH2:33][CH:45]([CH:46]([CH2:34][CH:25]=[CH:17][CH2:15][CH2:23][CH2:31][CH:40]=[O:56])[OH:58])[OH:57])=[O:60])[O:65][C:53]([CH2:38][CH2:29][CH2:19][CH2:11][CH2:9][CH2:7][CH2:5][CH:3]=[CH:4][CH2:6][CH:8]=[CH:10][CH2:12][CH2:22][CH2:30][CH2:39][OH:55])=[O:62])[O:66]2)[O:67]1)[OH:59] |
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