| Properties | Image |
|---|
| MNX_ID | MNXM1191760 |
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| reference | envipathM:...8811bd3ca54e |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | MKBMRTHQEGKJLS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-48(58)64-41(39-62-46(56)36-28-25-21-23-27-35-45-54(67-45)51(61)53-43(66-53)33-9-6-3)40-63-47(57)37-31-30-32-42(55)49(59)50(60)52-44(65-52)34-26-22-11-8-5-2/h12-13,22,26,41-45,49-55,59-61H,4-11,14-21,23-25,27-40H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)CCCCC(O)C(O)C(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-48(58)64-41(39-62-46(56)36-28-25-21-23-27-35-45-54(67-45)51(61)53-43(66-53)33-9-6-3)40-63-47(57)37-31-30-32-42(55)49(59)50(60)52-44(65-52)34-26-22-11-8-5-2/h12-13,22,26,41-45,49-55,59-61H,4-11,14-21,23-25,27-40H2,1-3H3/b13-12?,26-22?/t41?,42?,43?,44?,45?,49?,50?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:29][CH2:38][C:48](=[O:58])[O:64][CH:41]([CH2:39][O:62][C:46]([CH2:36][CH2:28][CH2:25][CH2:21][CH2:23][CH2:27][CH2:35][CH:45]1[CH:54]([CH:51]([CH:53]2[CH:43]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:61])[O:67]1)=[O:56])[CH2:40][O:63][C:47]([CH2:37][CH2:31][CH2:30][CH2:32][CH:42]([CH:49]([CH:50]([CH:52]1[CH:44]([CH2:34][CH:26]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:60])[OH:59])[OH:55])=[O:57] |
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