| Properties | Image |
|---|
| MNX_ID | MNXM1188708 |
 |
| reference | envipathM:...fbc2576b5665 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | CAMIHBDWCHYTBO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-15-23-31-46(57)47(58)32-24-17-13-20-26-35-52(61)64-41-45(66-54(63)37-28-19-12-10-11-16-22-30-44(56)39-38-43(55)29-6-3)42-65-53(62)36-27-21-14-18-25-33-48(59)49(60)40-51-50(67-51)34-8-5-2/h15,22-23,30,38-39,43-45,47-51,55-56,58-60H,4-14,16-21,24-29,31-37,40-42H2,1-3H3 |
| SMILES | CCCCC=CCC(=O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-15-23-31-46(57)47(58)32-24-17-13-20-26-35-52(61)64-41-45(66-54(63)37-28-19-12-10-11-16-22-30-44(56)39-38-43(55)29-6-3)42-65-53(62)36-27-21-14-18-25-33-48(59)49(60)40-51-50(67-51)34-8-5-2/h15,22-23,30,38-39,43-45,47-51,55-56,58-60H,4-14,16-21,24-29,31-37,40-42H2,1-3H3/b23-15?,30-22?,39-38?/t43?,44?,45?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:23][CH2:31][C:46]([CH:47]([CH2:32][CH2:24][CH2:17][CH2:13][CH2:20][CH2:26][CH2:35][C:52](=[O:61])[O:64][CH2:41][CH:45]([CH2:42][O:65][C:53]([CH2:36][CH2:27][CH2:21][CH2:14][CH2:18][CH2:25][CH2:33][CH:48]([CH:49]([CH2:40][CH:51]1[CH:50]([CH2:34][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:60])[OH:59])=[O:62])[O:66][C:54]([CH2:37][CH2:28][CH2:19][CH2:12][CH2:10][CH2:11][CH2:16][CH:22]=[CH:30][CH:44]([CH:39]=[CH:38][CH:43]([CH2:29][CH2:6][CH3:3])[OH:55])[OH:56])=[O:63])[OH:58])=[O:57] |
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