| Properties | Image |
|---|
| MNX_ID | MNXM1196431 |
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| reference | envipathM:...cc5b5635e7ac |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | YGUIXPPSCOTTNA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-19-27-35-46-47(66-46)36-28-24-23-26-34-45(57)54(62)64-42-43(65-50(59)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)41-63-49(58)38-30-22-18-20-29-37-48-53(67-48)52(61)51(60)44(56)33-6-4-2/h13,15,19,27,43-48,51-53,55-57,60-61H,3-12,14,16-18,20-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)CCCC)OC(=O)CCCCCCCCCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-19-27-35-46-47(66-46)36-28-24-23-26-34-45(57)54(62)64-42-43(65-50(59)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)41-63-49(58)38-30-22-18-20-29-37-48-53(67-48)52(61)51(60)44(56)33-6-4-2/h13,15,19,27,43-48,51-53,55-57,60-61H,3-12,14,16-18,20-26,28-42H2,1-2H3/b15-13?,27-19?/t43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:27][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:28][CH2:24][CH2:23][CH2:26][CH2:34][CH:45]([C:54](=[O:62])[O:64][CH2:42][CH:43]([CH2:41][O:63][C:49]([CH2:38][CH2:30][CH2:22][CH2:18][CH2:20][CH2:29][CH2:37][CH:48]2[CH:53]([CH:52]([CH:51]([CH:44]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:56])[OH:60])[OH:61])[O:67]2)=[O:58])[O:65][C:50]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:25][CH2:32][CH2:40][OH:55])=[O:59])[OH:57])[O:66]1 |
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