| Properties | Image |
|---|
| MNX_ID | MNXM1174668 |
 |
| reference | envipathM:...a88ac1504047 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | KWRWLKNKACIPPE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-15-22-30-42(55)31-23-16-20-29-38-52(61)65-43(40-63-51(60)37-28-21-19-25-33-45(57)53-49(67-53)36-27-14-11-8-5-2)41-64-54(62)46(58)34-26-18-17-24-32-44(56)47(59)39-50-48(66-50)35-9-6-3/h12-14,22,27,30,42-45,47-50,53,55-57,59H,4-11,15-21,23-26,28-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CCCCC)COC(=O)C(=O)CCCCCCC(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-15-22-30-42(55)31-23-16-20-29-38-52(61)65-43(40-63-51(60)37-28-21-19-25-33-45(57)53-49(67-53)36-27-14-11-8-5-2)41-64-54(62)46(58)34-26-18-17-24-32-44(56)47(59)39-50-48(66-50)35-9-6-3/h12-14,22,27,30,42-45,47-50,53,55-57,59H,4-11,15-21,23-26,28-29,31-41H2,1-3H3/b13-12?,27-14?,30-22?/t42?,43?,44?,45?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:15][CH:22]=[CH:30][CH:42]([CH2:31][CH2:23][CH2:16][CH2:20][CH2:29][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:21][CH2:19][CH2:25][CH2:33][CH:45]([CH:53]1[CH:49]([CH2:36][CH:27]=[CH:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:57])=[O:60])[CH2:41][O:64][C:54]([C:46]([CH2:34][CH2:26][CH2:18][CH2:17][CH2:24][CH2:32][CH:44]([CH:47]([CH2:39][CH:50]1[CH:48]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:59])[OH:56])=[O:58])=[O:62])[OH:55] |
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