| Properties | Image |
|---|
| MNX_ID | MNXM1186701 |
 |
| reference | envipathM:...943494aaf551 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | RAEGWXJWOZWQGJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-19-27-35-48-54(67-48)53(62)45(57)33-25-24-30-37-51(60)64-42-43(65-52(61)38-29-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)41-63-50(59)36-28-22-18-20-26-34-47-49(66-47)40-46(58)44(56)32-6-4-2/h8-9,19,27,43-49,53-58,62H,3-7,10-18,20-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)C(O)CCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-19-27-35-48-54(67-48)53(62)45(57)33-25-24-30-37-51(60)64-42-43(65-52(61)38-29-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)41-63-50(59)36-28-22-18-20-26-34-47-49(66-47)40-46(58)44(56)32-6-4-2/h8-9,19,27,43-49,53-58,62H,3-7,10-18,20-26,28-42H2,1-2H3/b9-8?,27-19?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:27][CH2:35][CH:48]1[CH:54]([CH:53]([CH:45]([CH2:33][CH2:25][CH2:24][CH2:30][CH2:37][C:51](=[O:60])[O:64][CH2:42][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:28][CH2:22][CH2:18][CH2:20][CH2:26][CH2:34][CH:47]2[CH:49]([CH2:40][CH:46]([CH:44]([CH2:32][CH2:6][CH2:4][CH3:2])[OH:56])[OH:58])[O:66]2)=[O:59])[O:65][C:52]([CH2:38][CH2:29][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:23][CH2:31][CH2:39][OH:55])=[O:61])[OH:57])[OH:62])[O:67]1 |
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