| Properties | Image |
|---|
| MNX_ID | MNXM1194960 |
 |
| reference | envipathM:...06b6fc92345d |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | VFLSAZBZSMDOQS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-28-45(59)54-50(68-54)37-49-48(67-49)32-23-17-14-20-25-35-52(61)64-40-42(65-53(62)36-26-18-12-10-8-6-5-7-9-11-15-21-29-41(56)38-55)39-63-51(60)34-24-19-13-16-22-31-46-47(66-46)33-27-30-44(58)43(57)4-2/h5,7,11,15,27,30,41-50,54-59H,3-4,6,8-10,12-14,16-26,28-29,31-40H2,1-2H3 |
| SMILES | CCCC(O)C1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-28-45(59)54-50(68-54)37-49-48(67-49)32-23-17-14-20-25-35-52(61)64-40-42(65-53(62)36-26-18-12-10-8-6-5-7-9-11-15-21-29-41(56)38-55)39-63-51(60)34-24-19-13-16-22-31-46-47(66-46)33-27-30-44(58)43(57)4-2/h5,7,11,15,27,30,41-50,54-59H,3-4,6,8-10,12-14,16-26,28-29,31-40H2,1-2H3/b7-5?,15-11?,30-27?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:28][CH:45]([CH:54]1[CH:50]([CH2:37][CH:49]2[CH:48]([CH2:32][CH2:23][CH2:17][CH2:14][CH2:20][CH2:25][CH2:35][C:52](=[O:61])[O:64][CH2:40][CH:42]([CH2:39][O:63][C:51]([CH2:34][CH2:24][CH2:19][CH2:13][CH2:16][CH2:22][CH2:31][CH:46]3[CH:47]([CH2:33][CH:27]=[CH:30][CH:44]([CH:43]([CH2:4][CH3:2])[OH:57])[OH:58])[O:66]3)=[O:60])[O:65][C:53]([CH2:36][CH2:26][CH2:18][CH2:12][CH2:10][CH2:8][CH2:6][CH:5]=[CH:7][CH2:9][CH:11]=[CH:15][CH2:21][CH2:29][CH:41]([CH2:38][OH:55])[OH:56])=[O:62])[O:67]2)[O:68]1)[OH:59] |
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