| Properties | Image |
|---|
| MNX_ID | MNXM1174831 |
 |
| reference | envipathM:...550ecc13cb19 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | IPGHJQGHCJAJFE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(60)64-44(43-63-52(59)38-29-24-23-26-34-46(57)54(61)45(56)33-25-19-8-6-4-2)42-62-51(58)37-28-22-18-20-27-35-47-49(65-47)41-50-48(66-50)36-31-32-40-55/h9-10,12-13,19,25,44,46-50,54-55,57,61H,3-8,11,14-18,20-24,26-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)COC(=O)CCCCCCC(O)C(O)C(=O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(60)64-44(43-63-52(59)38-29-24-23-26-34-46(57)54(61)45(56)33-25-19-8-6-4-2)42-62-51(58)37-28-22-18-20-27-35-47-49(65-47)41-50-48(66-50)36-31-32-40-55/h9-10,12-13,19,25,44,46-50,54-55,57,61H,3-8,11,14-18,20-24,26-43H2,1-2H3/b10-9?,13-12?,25-19?/t44?,46?,47?,48?,49?,50?,54? |
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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][CH2:17][CH2:21][CH2:30][CH2:39][C:53](=[O:60])[O:64][CH:44]([CH2:42][O:62][C:51]([CH2:37][CH2:28][CH2:22][CH2:18][CH2:20][CH2:27][CH2:35][CH:47]1[CH:49]([CH2:41][CH:50]2[CH:48]([CH2:36][CH2:31][CH2:32][CH2:40][OH:55])[O:66]2)[O:65]1)=[O:58])[CH2:43][O:63][C:52]([CH2:38][CH2:29][CH2:24][CH2:23][CH2:26][CH2:34][CH:46]([CH:54]([C:45]([CH2:33][CH:25]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[OH:61])[OH:57])=[O:59] |
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