| Properties | Image |
|---|
| MNX_ID | MNXM1197796 |
 |
| reference | envipathM:...8450810f36a2 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | QBMMEDRNQJYNPH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-16-25-34-47-48(66-47)35-26-19-14-21-28-37-51(59)63-40-43(65-54(62)53(61)45(57)33-24-18-13-11-10-12-17-23-31-42(55)30-6-3)41-64-52(60)38-29-22-15-20-27-36-49-50(67-49)39-46(58)44(56)32-8-5-2/h10,12,16,25,42-50,53,55-58,61H,4-9,11,13-15,17-24,26-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)C(O)C(O)CCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-16-25-34-47-48(66-47)35-26-19-14-21-28-37-51(59)63-40-43(65-54(62)53(61)45(57)33-24-18-13-11-10-12-17-23-31-42(55)30-6-3)41-64-52(60)38-29-22-15-20-27-36-49-50(67-49)39-46(58)44(56)32-8-5-2/h10,12,16,25,42-50,53,55-58,61H,4-9,11,13-15,17-24,26-41H2,1-3H3/b12-10?,25-16?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:25][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:26][CH2:19][CH2:14][CH2:21][CH2:28][CH2:37][C:51](=[O:59])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:52]([CH2:38][CH2:29][CH2:22][CH2:15][CH2:20][CH2:27][CH2:36][CH:49]2[CH:50]([CH2:39][CH:46]([CH:44]([CH2:32][CH2:8][CH2:5][CH3:2])[OH:56])[OH:58])[O:67]2)=[O:60])[O:65][C:54]([CH:53]([CH:45]([CH2:33][CH2:24][CH2:18][CH2:13][CH2:11][CH:10]=[CH:12][CH2:17][CH2:23][CH2:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])[OH:57])[OH:61])=[O:62])[O:66]1 |
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