| Properties | Image |
|---|
| MNX_ID | MNXM1171806 |
 |
| reference | envipathM:...ccd0aee684e9 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | KRLCVCMBKPWZCC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-6-12-24-34-48-49(66-48)35-25-15-11-17-27-37-52(61)64-42-44(65-53(62)38-28-19-18-22-32-43(56)31-21-13-8-7-9-20-29-39-55)41-63-51(60)36-26-16-10-14-23-33-45(57)47(59)40-50-54(67-50)46(58)30-4-2/h7-8,21,31,43-50,54-59H,3-6,9-20,22-30,32-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)CCC)OC(=O)CCCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-6-12-24-34-48-49(66-48)35-25-15-11-17-27-37-52(61)64-42-44(65-53(62)38-28-19-18-22-32-43(56)31-21-13-8-7-9-20-29-39-55)41-63-51(60)36-26-16-10-14-23-33-45(57)47(59)40-50-54(67-50)46(58)30-4-2/h7-8,21,31,43-50,54-59H,3-6,9-20,22-30,32-42H2,1-2H3/b8-7?,31-21?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:12][CH2:24][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:25][CH2:15][CH2:11][CH2:17][CH2:27][CH2:37][C:52](=[O:61])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:16][CH2:10][CH2:14][CH2:23][CH2:33][CH:45]([CH:47]([CH2:40][CH:50]2[CH:54]([CH:46]([CH2:30][CH2:4][CH3:2])[OH:58])[O:67]2)[OH:59])[OH:57])=[O:60])[O:65][C:53]([CH2:38][CH2:28][CH2:19][CH2:18][CH2:22][CH2:32][CH:43]([CH:31]=[CH:21][CH2:13][CH:8]=[CH:7][CH2:9][CH2:20][CH2:29][CH2:39][OH:55])[OH:56])=[O:62])[O:66]1 |
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