| Properties | Image |
|---|
| MNX_ID | MNXM1182390 |
 |
| reference | envipathM:...48a6e259c222 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | GDMKFOIWCICSJM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-26-34-41-51(60)65-44(42-63-49(58)39-32-27-21-24-30-36-46(56)45(55)35-29-23-11-8-5-2)43-64-50(59)40-33-28-22-25-31-37-47(57)52(61)53(62)54-48(66-54)38-9-6-3/h12-13,15-16,23,29,44-45,48,52-55,61-62H,4-11,14,17-22,24-28,30-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCC)COC(=O)CCCCCCCC(=O)C(O)C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-26-34-41-51(60)65-44(42-63-49(58)39-32-27-21-24-30-36-46(56)45(55)35-29-23-11-8-5-2)43-64-50(59)40-33-28-22-25-31-37-47(57)52(61)53(62)54-48(66-54)38-9-6-3/h12-13,15-16,23,29,44-45,48,52-55,61-62H,4-11,14,17-22,24-28,30-43H2,1-3H3/b13-12?,16-15?,29-23?/t44?,45?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:26][CH2:34][CH2:41][C:51](=[O:60])[O:65][CH:44]([CH2:42][O:63][C:49]([CH2:39][CH2:32][CH2:27][CH2:21][CH2:24][CH2:30][CH2:36][C:46]([CH:45]([CH2:35][CH:29]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:58])[CH2:43][O:64][C:50]([CH2:40][CH2:33][CH2:28][CH2:22][CH2:25][CH2:31][CH2:37][C:47]([CH:52]([CH:53]([CH:54]1[CH:48]([CH2:38][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:62])[OH:61])=[O:57])=[O:59] |
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