| Properties | Image |
|---|
| MNX_ID | MNXM1180284 |
 |
| reference | envipathM:...ef4acd012357 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | WLPPJHSZHSHFPH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-11-19-28-45-46(66-45)29-21-16-18-26-44(58)53(61)54(62)64-39-43(65-52(60)32-23-15-14-17-25-41(56)34-36-42(57)35-33-40(55)24-6-3)38-63-51(59)31-22-13-10-12-20-30-48-50(68-48)37-49-47(67-49)27-8-5-2/h11,19,33-36,40-50,53,55-58,61H,4-10,12-18,20-32,37-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCC(O)C(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-11-19-28-45-46(66-45)29-21-16-18-26-44(58)53(61)54(62)64-39-43(65-52(60)32-23-15-14-17-25-41(56)34-36-42(57)35-33-40(55)24-6-3)38-63-51(59)31-22-13-10-12-20-30-48-50(68-48)37-49-47(67-49)27-8-5-2/h11,19,33-36,40-50,53,55-58,61H,4-10,12-18,20-32,37-39H2,1-3H3/b19-11?,35-33?,36-34?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:19][CH2:28][CH:45]1[CH:46]([CH2:29][CH2:21][CH2:16][CH2:18][CH2:26][CH:44]([CH:53]([C:54](=[O:62])[O:64][CH2:39][CH:43]([CH2:38][O:63][C:51]([CH2:31][CH2:22][CH2:13][CH2:10][CH2:12][CH2:20][CH2:30][CH:48]2[CH:50]([CH2:37][CH:49]3[CH:47]([CH2:27][CH2:8][CH2:5][CH3:2])[O:67]3)[O:68]2)=[O:59])[O:65][C:52]([CH2:32][CH2:23][CH2:15][CH2:14][CH2:17][CH2:25][CH:41]([CH:34]=[CH:36][CH:42]([CH:35]=[CH:33][CH:40]([CH2:24][CH2:6][CH3:3])[OH:55])[OH:57])[OH:56])=[O:60])[OH:61])[OH:58])[O:66]1 |
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