| Properties | Image |
|---|
| MNX_ID | MNXM1170689 |
 |
| reference | envipathM:...4f748a4d4eac |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | YAYMYJBJZGZXID-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-25-42(56)27-15-13-16-29-44(58)28-14-11-12-21-37-54(63)66-45(40-64-52(61)35-19-9-5-7-17-31-46(59)47(60)32-24-30-43(57)26-4-2)41-65-53(62)36-20-10-6-8-18-33-48-50(67-48)39-51-49(68-51)34-22-23-38-55/h15-16,24,27,29-30,42-51,55-60H,3-14,17-23,25-26,28,31-41H2,1-2H3 |
| SMILES | CCCC(O)C=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-25-42(56)27-15-13-16-29-44(58)28-14-11-12-21-37-54(63)66-45(40-64-52(61)35-19-9-5-7-17-31-46(59)47(60)32-24-30-43(57)26-4-2)41-65-53(62)36-20-10-6-8-18-33-48-50(67-48)39-51-49(68-51)34-22-23-38-55/h15-16,24,27,29-30,42-51,55-60H,3-14,17-23,25-26,28,31-41H2,1-2H3/b27-15?,29-16?,30-24?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:25][CH:42]([CH:27]=[CH:15][CH2:13][CH:16]=[CH:29][CH:44]([CH2:28][CH2:14][CH2:11][CH2:12][CH2:21][CH2:37][C:54](=[O:63])[O:66][CH:45]([CH2:40][O:64][C:52]([CH2:35][CH2:19][CH2:9][CH2:5][CH2:7][CH2:17][CH2:31][CH:46]([CH:47]([CH2:32][CH:24]=[CH:30][CH:43]([CH2:26][CH2:4][CH3:2])[OH:57])[OH:60])[OH:59])=[O:61])[CH2:41][O:65][C:53]([CH2:36][CH2:20][CH2:10][CH2:6][CH2:8][CH2:18][CH2:33][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:34][CH2:22][CH2:23][CH2:38][OH:55])[O:68]2)[O:67]1)=[O:62])[OH:58])[OH:56] |
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