| Properties | Image |
|---|
| MNX_ID | MNXM1180526 |
 |
| reference | envipathM:...724a4ef601b7 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | MVULSHNDWHADLL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-12-23-34-48-49(65-48)35-24-13-10-15-26-37-52(59)62-41-45(64-54(61)39-28-18-17-20-31-44(56)32-22-19-21-30-43(55)29-6-3)42-63-53(60)38-27-16-11-14-25-36-50-51(66-50)40-47(58)46(57)33-8-5-2/h12,21-23,30,32,45-51,57-58H,4-11,13-20,24-29,31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCC(=O)C=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-12-23-34-48-49(65-48)35-24-13-10-15-26-37-52(59)62-41-45(64-54(61)39-28-18-17-20-31-44(56)32-22-19-21-30-43(55)29-6-3)42-63-53(60)38-27-16-11-14-25-36-50-51(66-50)40-47(58)46(57)33-8-5-2/h12,21-23,30,32,45-51,57-58H,4-11,13-20,24-29,31,33-42H2,1-3H3/b23-12?,30-21?,32-22?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:12]=[CH:23][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:24][CH2:13][CH2:10][CH2:15][CH2:26][CH2:37][C:52](=[O:59])[O:62][CH2:41][CH:45]([CH2:42][O:63][C:53]([CH2:38][CH2:27][CH2:16][CH2:11][CH2:14][CH2:25][CH2:36][CH:50]2[CH:51]([CH2:40][CH:47]([CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[OH:57])[OH:58])[O:66]2)=[O:60])[O:64][C:54]([CH2:39][CH2:28][CH2:18][CH2:17][CH2:20][CH2:31][C:44]([CH:32]=[CH:22][CH2:19][CH:21]=[CH:30][C:43]([CH2:29][CH2:6][CH3:3])=[O:55])=[O:56])=[O:61])[O:65]1 |
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