| Properties | Image |
|---|
| MNX_ID | MNXM1171510 |
 |
| reference | envipathM:...4b4f76b747f7 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | CUCPPLXUOQGWOP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-12-13-17-22-30-42(55)51(61)43(56)32-28-29-38-50(60)66-41(40-65-49(59)37-27-21-15-19-25-35-46-45(67-46)34-24-16-11-8-5-2)39-64-48(58)36-26-20-14-18-23-31-44(57)52(62)53(63)54-47(68-54)33-9-6-3/h12-13,16,22,24,30,41-47,51-57,61-63H,4-11,14-15,17-21,23,25-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)C(O)CCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-12-13-17-22-30-42(55)51(61)43(56)32-28-29-38-50(60)66-41(40-65-49(59)37-27-21-15-19-25-35-46-45(67-46)34-24-16-11-8-5-2)39-64-48(58)36-26-20-14-18-23-31-44(57)52(62)53(63)54-47(68-54)33-9-6-3/h12-13,16,22,24,30,41-47,51-57,61-63H,4-11,14-15,17-21,23,25-29,31-40H2,1-3H3/b13-12?,24-16?,30-22?/t41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:22]=[CH:30][CH:42]([CH:51]([CH:43]([CH2:32][CH2:28][CH2:29][CH2:38][C:50](=[O:60])[O:66][CH:41]([CH2:39][O:64][C:48]([CH2:36][CH2:26][CH2:20][CH2:14][CH2:18][CH2:23][CH2:31][CH:44]([CH:52]([CH:53]([CH:54]1[CH:47]([CH2:33][CH2:9][CH2:6][CH3:3])[O:68]1)[OH:63])[OH:62])[OH:57])=[O:58])[CH2:40][O:65][C:49]([CH2:37][CH2:27][CH2:21][CH2:15][CH2:19][CH2:25][CH2:35][CH:46]1[CH:45]([CH2:34][CH:24]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:67]1)=[O:59])[OH:56])[OH:61])[OH:55] |
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