| Properties | Image |
|---|
| MNX_ID | MNXM1192079 |
 |
| reference | envipathM:...a14a9956f7f7 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | VPMYRYOQAMQQKA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-12-23-32-45(57)54(62)46(58)33-24-17-18-27-37-52(60)64-42-44(65-53(61)38-28-15-10-8-9-13-21-30-43(56)31-22-19-20-29-39-55)41-63-51(59)36-26-16-11-14-25-35-48-50(67-48)40-49-47(66-49)34-6-4-2/h21-22,30-31,43-50,54-58,62H,3-20,23-29,32-42H2,1-2H3 |
| SMILES | CCCCCCCC(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-12-23-32-45(57)54(62)46(58)33-24-17-18-27-37-52(60)64-42-44(65-53(61)38-28-15-10-8-9-13-21-30-43(56)31-22-19-20-29-39-55)41-63-51(59)36-26-16-11-14-25-35-48-50(67-48)40-49-47(66-49)34-6-4-2/h21-22,30-31,43-50,54-58,62H,3-20,23-29,32-42H2,1-2H3/b30-21?,31-22?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:12][CH2:23][CH2:32][CH:45]([CH:54]([CH:46]([CH2:33][CH2:24][CH2:17][CH2:18][CH2:27][CH2:37][C:52](=[O:60])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:16][CH2:11][CH2:14][CH2:25][CH2:35][CH:48]1[CH:50]([CH2:40][CH:49]2[CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:59])[O:65][C:53]([CH2:38][CH2:28][CH2:15][CH2:10][CH2:8][CH2:9][CH2:13][CH:21]=[CH:30][CH:43]([CH:31]=[CH:22][CH2:19][CH2:20][CH2:29][CH2:39][OH:55])[OH:56])=[O:61])[OH:58])[OH:62])[OH:57] |
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