| Properties | Image |
|---|
| MNX_ID | MNXM1181702 |
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| reference | envipathM:...510e256f7d6f |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | XVHXZFMVMXCZSA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-25-33-40-53(61)65-44(42-63-51(59)38-31-26-21-23-29-36-47(57)54(62)46(56)35-28-11-8-5-2)43-64-52(60)39-32-27-22-24-30-37-49-50(66-49)41-48(58)45(55)34-9-6-3/h12-13,28,35,44,46-50,54,56-58,62H,4-11,14-27,29-34,36-43H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)CCCCCCCC1OC1CC(O)C(=O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-25-33-40-53(61)65-44(42-63-51(59)38-31-26-21-23-29-36-47(57)54(62)46(56)35-28-11-8-5-2)43-64-52(60)39-32-27-22-24-30-37-49-50(66-49)41-48(58)45(55)34-9-6-3/h12-13,28,35,44,46-50,54,56-58,62H,4-11,14-27,29-34,36-43H2,1-3H3/b13-12?,35-28?/t44?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:25][CH2:33][CH2:40][C:53](=[O:61])[O:65][CH:44]([CH2:42][O:63][C:51]([CH2:38][CH2:31][CH2:26][CH2:21][CH2:23][CH2:29][CH2:36][CH:47]([CH:54]([CH:46]([CH:35]=[CH:28][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[OH:62])[OH:57])=[O:59])[CH2:43][O:64][C:52]([CH2:39][CH2:32][CH2:27][CH2:22][CH2:24][CH2:30][CH2:37][CH:49]1[CH:50]([CH2:41][CH:48]([C:45]([CH2:34][CH2:9][CH2:6][CH3:3])=[O:55])[OH:58])[O:66]1)=[O:60] |
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