| Properties | Image |
|---|
| MNX_ID | MNXM1177100 |
 |
| reference | envipathM:...8933ed1cb701 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | UFZRRMRYKYFKLC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-8-9-10-11-12-13-14-15-16-18-24-31-45(59)54(62)65-40(38-63-50(60)35-26-20-17-19-25-33-46-47(66-46)34-28-32-42(56)41(55)6-3)39-64-51(61)36-27-22-21-23-30-44(58)53-49(68-53)37-48-52(67-48)43(57)29-5-2/h9-10,12-13,28,32,40-49,52-53,55-59H,4-8,11,14-27,29-31,33-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-8-9-10-11-12-13-14-15-16-18-24-31-45(59)54(62)65-40(38-63-50(60)35-26-20-17-19-25-33-46-47(66-46)34-28-32-42(56)41(55)6-3)39-64-51(61)36-27-22-21-23-30-44(58)53-49(68-53)37-48-52(67-48)43(57)29-5-2/h9-10,12-13,28,32,40-49,52-53,55-59H,4-8,11,14-27,29-31,33-39H2,1-3H3/b10-9?,13-12?,32-28?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:24][CH2:31][CH:45]([C:54](=[O:62])[O:65][CH:40]([CH2:38][O:63][C:50]([CH2:35][CH2:26][CH2:20][CH2:17][CH2:19][CH2:25][CH2:33][CH:46]1[CH:47]([CH2:34][CH:28]=[CH:32][CH:42]([CH:41]([CH2:6][CH3:3])[OH:55])[OH:56])[O:66]1)=[O:60])[CH2:39][O:64][C:51]([CH2:36][CH2:27][CH2:22][CH2:21][CH2:23][CH2:30][CH:44]([CH:53]1[CH:49]([CH2:37][CH:48]2[CH:52]([CH:43]([CH2:29][CH2:5][CH3:2])[OH:57])[O:67]2)[O:68]1)[OH:58])=[O:61])[OH:59] |
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