| Properties | Image |
|---|
| MNX_ID | MNXM1190924 |
 |
| reference | envipathM:...0f6ea67afbd5 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | VWJFKLZTRLFZMO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-8-9-10-12-19-28-40(55)29-20-15-18-25-36-52(61)65-41(38-63-51(60)35-24-14-11-13-22-32-46-47(66-46)34-26-31-43(57)42(56)6-3)39-64-54(62)45(59)30-21-16-17-23-33-48-49(67-48)37-50-53(68-50)44(58)27-5-2/h9-10,19,26,28,31,40-50,53,55-59H,4-8,11-18,20-25,27,29-30,32-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-8-9-10-12-19-28-40(55)29-20-15-18-25-36-52(61)65-41(38-63-51(60)35-24-14-11-13-22-32-46-47(66-46)34-26-31-43(57)42(56)6-3)39-64-54(62)45(59)30-21-16-17-23-33-48-49(67-48)37-50-53(68-50)44(58)27-5-2/h9-10,19,26,28,31,40-50,53,55-59H,4-8,11-18,20-25,27,29-30,32-39H2,1-3H3/b10-9?,28-19?,31-26?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:12][CH:19]=[CH:28][CH:40]([CH2:29][CH2:20][CH2:15][CH2:18][CH2:25][CH2:36][C:52](=[O:61])[O:65][CH:41]([CH2:38][O:63][C:51]([CH2:35][CH2:24][CH2:14][CH2:11][CH2:13][CH2:22][CH2:32][CH:46]1[CH:47]([CH2:34][CH:26]=[CH:31][CH:43]([CH:42]([CH2:6][CH3:3])[OH:56])[OH:57])[O:66]1)=[O:60])[CH2:39][O:64][C:54]([CH:45]([CH2:30][CH2:21][CH2:16][CH2:17][CH2:23][CH2:33][CH:48]1[CH:49]([CH2:37][CH:50]2[CH:53]([CH:44]([CH2:27][CH2:5][CH3:2])[OH:58])[O:68]2)[O:67]1)[OH:59])=[O:62])[OH:55] |
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