| Properties | Image |
|---|
| MNX_ID | MNXM1193112 |
 |
| reference | envipathM:...67b6354e80e9 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | DQMCCRHOKCBLKF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-9-10-14-19-28-42(56)43(57)29-27-30-44(58)53(61)54(62)65-41(39-63-51(59)35-23-17-11-15-21-32-46-45(66-46)31-20-13-8-6-4-2)40-64-52(60)36-24-18-12-16-22-33-47-49(67-47)38-50-48(68-50)34-25-26-37-55/h9-10,13,19-20,28,41-50,53,55-58,61H,3-8,11-12,14-18,21-27,29-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-9-10-14-19-28-42(56)43(57)29-27-30-44(58)53(61)54(62)65-41(39-63-51(59)35-23-17-11-15-21-32-46-45(66-46)31-20-13-8-6-4-2)40-64-52(60)36-24-18-12-16-22-33-47-49(67-47)38-50-48(68-50)34-25-26-37-55/h9-10,13,19-20,28,41-50,53,55-58,61H,3-8,11-12,14-18,21-27,29-40H2,1-2H3/b10-9?,20-13?,28-19?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:14][CH:19]=[CH:28][CH:42]([CH:43]([CH2:29][CH2:27][CH2:30][CH:44]([CH:53]([C:54](=[O:62])[O:65][CH:41]([CH2:39][O:63][C:51]([CH2:35][CH2:23][CH2:17][CH2:11][CH2:15][CH2:21][CH2:32][CH:46]1[CH:45]([CH2:31][CH:20]=[CH:13][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)=[O:59])[CH2:40][O:64][C:52]([CH2:36][CH2:24][CH2:18][CH2:12][CH2:16][CH2:22][CH2:33][CH:47]1[CH:49]([CH2:38][CH:50]2[CH:48]([CH2:34][CH2:25][CH2:26][CH2:37][OH:55])[O:68]2)[O:67]1)=[O:60])[OH:61])[OH:58])[OH:57])[OH:56] |
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