| Properties | Image |
|---|
| MNX_ID | MNXM1195212 |
 |
| reference | envipathM:...b2019e588198 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | DYGUMQDJOHGWDD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-17-26-41(56)35-36-42(57)27-18-13-14-24-34-52(60)65-43(39-63-51(59)33-23-12-8-10-21-32-48-50(68-48)38-49-47(67-49)29-6-4-2)40-64-54(62)53(61)44(58)28-19-16-22-31-46-45(66-46)30-20-11-9-15-25-37-55/h11,17,20,26,35-36,41-50,53,55-58,61H,3-10,12-16,18-19,21-25,27-34,37-40H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-17-26-41(56)35-36-42(57)27-18-13-14-24-34-52(60)65-43(39-63-51(59)33-23-12-8-10-21-32-48-50(68-48)38-49-47(67-49)29-6-4-2)40-64-54(62)53(61)44(58)28-19-16-22-31-46-45(66-46)30-20-11-9-15-25-37-55/h11,17,20,26,35-36,41-50,53,55-58,61H,3-10,12-16,18-19,21-25,27-34,37-40H2,1-2H3/b20-11?,26-17?,36-35?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:17]=[CH:26][CH:41]([CH:35]=[CH:36][CH:42]([CH2:27][CH2:18][CH2:13][CH2:14][CH2:24][CH2:34][C:52](=[O:60])[O:65][CH:43]([CH2:39][O:63][C:51]([CH2:33][CH2:23][CH2:12][CH2:8][CH2:10][CH2:21][CH2:32][CH:48]1[CH:50]([CH2:38][CH:49]2[CH:47]([CH2:29][CH2:6][CH2:4][CH3:2])[O:67]2)[O:68]1)=[O:59])[CH2:40][O:64][C:54]([CH:53]([CH:44]([CH2:28][CH2:19][CH2:16][CH2:22][CH2:31][CH:46]1[CH:45]([CH2:30][CH:20]=[CH:11][CH2:9][CH2:15][CH2:25][CH2:37][OH:55])[O:66]1)[OH:58])[OH:61])=[O:62])[OH:57])[OH:56] |
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