| Properties | Image |
|---|
| MNX_ID | MNXM1186638 |
 |
| reference | envipathM:...bbe433943fc6 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | BTKYXZSHLFFBKG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-18-27-41(56)28-19-14-11-10-12-16-22-36-51(60)65-42(38-63-50(59)35-21-17-13-15-20-33-45-46(66-45)34-25-29-40(55)26-6-3)39-64-54(62)44(58)31-24-23-30-43(57)52(61)53-49(68-53)37-48-47(67-48)32-8-5-2/h18-19,25,27-29,40-49,52-53,55-58,61H,4-17,20-24,26,30-39H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCC(O)C(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-18-27-41(56)28-19-14-11-10-12-16-22-36-51(60)65-42(38-63-50(59)35-21-17-13-15-20-33-45-46(66-45)34-25-29-40(55)26-6-3)39-64-54(62)44(58)31-24-23-30-43(57)52(61)53-49(68-53)37-48-47(67-48)32-8-5-2/h18-19,25,27-29,40-49,52-53,55-58,61H,4-17,20-24,26,30-39H2,1-3H3/b27-18?,28-19?,29-25?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:18]=[CH:27][CH:41]([CH:28]=[CH:19][CH2:14][CH2:11][CH2:10][CH2:12][CH2:16][CH2:22][CH2:36][C:51](=[O:60])[O:65][CH:42]([CH2:38][O:63][C:50]([CH2:35][CH2:21][CH2:17][CH2:13][CH2:15][CH2:20][CH2:33][CH:45]1[CH:46]([CH2:34][CH:25]=[CH:29][CH:40]([CH2:26][CH2:6][CH3:3])[OH:55])[O:66]1)=[O:59])[CH2:39][O:64][C:54]([CH:44]([CH2:31][CH2:24][CH2:23][CH2:30][CH:43]([CH:52]([CH:53]1[CH:49]([CH2:37][CH:48]2[CH:47]([CH2:32][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)[OH:61])[OH:57])[OH:58])=[O:62])[OH:56] |
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