| Properties | Image |
|---|
| MNX_ID | MNXM1178209 |
 |
| reference | envipathM:...6c925c5a8d69 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | RUHHBXTYOSJHIN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-20-29-44(58)53-47(68-53)32-23-18-21-28-43(57)52(61)54(62)64-39-42(65-51(60)34-25-16-12-10-11-14-19-27-41(56)36-35-40(55)26-6-3)38-63-50(59)33-24-17-13-15-22-31-46-49(67-46)37-48-45(66-48)30-8-5-2/h19-20,27,29,35-36,40-49,52-53,55-58,61H,4-18,21-26,28,30-34,37-39H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCC(O)C(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-20-29-44(58)53-47(68-53)32-23-18-21-28-43(57)52(61)54(62)64-39-42(65-51(60)34-25-16-12-10-11-14-19-27-41(56)36-35-40(55)26-6-3)38-63-50(59)33-24-17-13-15-22-31-46-49(67-46)37-48-45(66-48)30-8-5-2/h19-20,27,29,35-36,40-49,52-53,55-58,61H,4-18,21-26,28,30-34,37-39H2,1-3H3/b27-19?,29-20?,36-35?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:20]=[CH:29][CH:44]([CH:53]1[CH:47]([CH2:32][CH2:23][CH2:18][CH2:21][CH2:28][CH:43]([CH:52]([C:54](=[O:62])[O:64][CH2:39][CH:42]([CH2:38][O:63][C:50]([CH2:33][CH2:24][CH2:17][CH2:13][CH2:15][CH2:22][CH2:31][CH:46]2[CH:49]([CH2:37][CH:48]3[CH:45]([CH2:30][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:59])[O:65][C:51]([CH2:34][CH2:25][CH2:16][CH2:12][CH2:10][CH2:11][CH2:14][CH:19]=[CH:27][CH:41]([CH:36]=[CH:35][CH:40]([CH2:26][CH2:6][CH3:3])[OH:55])[OH:56])=[O:60])[OH:61])[OH:57])[O:68]1)[OH:58] |
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