| Properties | Image |
|---|
| MNX_ID | MNXM1188486 |
 |
| reference | envipathM:...405ac07a00e8 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | BQCHXAGTERXPPM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-9-10-11-12-13-14-15-16-18-24-31-45(59)54(62)65-42(40-64-53(61)44(58)30-25-19-21-27-33-47-46(66-47)32-26-17-8-6-4-2)39-63-51(60)34-28-22-20-23-29-43(57)52-50(68-52)37-49-48(67-49)36-35-41(56)38-55/h9-10,12-13,17,26,41-50,52,55-59H,3-8,11,14-16,18-25,27-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCC(O)CO)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-9-10-11-12-13-14-15-16-18-24-31-45(59)54(62)65-42(40-64-53(61)44(58)30-25-19-21-27-33-47-46(66-47)32-26-17-8-6-4-2)39-63-51(60)34-28-22-20-23-29-43(57)52-50(68-52)37-49-48(67-49)36-35-41(56)38-55/h9-10,12-13,17,26,41-50,52,55-59H,3-8,11,14-16,18-25,27-40H2,1-2H3/b10-9?,13-12?,26-17?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:24][CH2:31][CH:45]([C:54](=[O:62])[O:65][CH:42]([CH2:39][O:63][C:51]([CH2:34][CH2:28][CH2:22][CH2:20][CH2:23][CH2:29][CH:43]([CH:52]1[CH:50]([CH2:37][CH:49]2[CH:48]([CH2:36][CH2:35][CH:41]([CH2:38][OH:55])[OH:56])[O:67]2)[O:68]1)[OH:57])=[O:60])[CH2:40][O:64][C:53]([CH:44]([CH2:30][CH2:25][CH2:19][CH2:21][CH2:27][CH2:33][CH:47]1[CH:46]([CH2:32][CH:26]=[CH:17][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)[OH:58])=[O:61])[OH:59] |
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