| Properties | Image |
|---|
| MNX_ID | MNXM1182827 |
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| reference | envipathM:...566ac45133ba |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | MHHKTTBCUAWKHW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-29-44(58)53-50(68-53)38-49-48(67-49)34-24-14-11-17-26-35-51(60)63-39-41(65-52(61)36-27-16-10-8-6-5-7-9-13-21-30-43(57)42(56)4-2)40-64-54(62)45(59)31-22-18-19-25-33-47-46(66-47)32-23-15-12-20-28-37-55/h7,9,15,21,23,30,41-50,53,55-59H,3-6,8,10-14,16-20,22,24-29,31-40H2,1-2H3 |
| SMILES | CCCC(O)C1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-29-44(58)53-50(68-53)38-49-48(67-49)34-24-14-11-17-26-35-51(60)63-39-41(65-52(61)36-27-16-10-8-6-5-7-9-13-21-30-43(57)42(56)4-2)40-64-54(62)45(59)31-22-18-19-25-33-47-46(66-47)32-23-15-12-20-28-37-55/h7,9,15,21,23,30,41-50,53,55-59H,3-6,8,10-14,16-20,22,24-29,31-40H2,1-2H3/b9-7?,23-15?,30-21?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:29][CH:44]([CH:53]1[CH:50]([CH2:38][CH:49]2[CH:48]([CH2:34][CH2:24][CH2:14][CH2:11][CH2:17][CH2:26][CH2:35][C:51](=[O:60])[O:63][CH2:39][CH:41]([CH2:40][O:64][C:54]([CH:45]([CH2:31][CH2:22][CH2:18][CH2:19][CH2:25][CH2:33][CH:47]3[CH:46]([CH2:32][CH:23]=[CH:15][CH2:12][CH2:20][CH2:28][CH2:37][OH:55])[O:66]3)[OH:59])=[O:62])[O:65][C:52]([CH2:36][CH2:27][CH2:16][CH2:10][CH2:8][CH2:6][CH2:5][CH:7]=[CH:9][CH2:13][CH:21]=[CH:30][CH:43]([CH:42]([CH2:4][CH3:2])[OH:56])[OH:57])=[O:61])[O:67]2)[O:68]1)[OH:58] |
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