| Properties | Image |
|---|
| MNX_ID | MNXM1177559 |
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| reference | envipathM:...7f04e3b4dc9b |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | AIXXKDWNLFZSKN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-23-29-36-47(57)54(62)65-44(43-64-53(61)40-33-27-21-25-31-38-51-50(66-51)37-30-22-11-8-5-2)42-63-52(60)39-32-26-20-24-28-35-46(56)49(59)41-48(58)45(55)34-9-6-3/h12-13,15-16,22,30,44-45,47,49-51,55,57,59H,4-11,14,17-21,23-29,31-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC(=O)C(O)CCCC)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-23-29-36-47(57)54(62)65-44(43-64-53(61)40-33-27-21-25-31-38-51-50(66-51)37-30-22-11-8-5-2)42-63-52(60)39-32-26-20-24-28-35-46(56)49(59)41-48(58)45(55)34-9-6-3/h12-13,15-16,22,30,44-45,47,49-51,55,57,59H,4-11,14,17-21,23-29,31-43H2,1-3H3/b13-12?,16-15?,30-22?/t44?,45?,47?,49?,50?,51? |
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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][CH2:23][CH2:29][CH2:36][CH:47]([C:54](=[O:62])[O:65][CH:44]([CH2:42][O:63][C:52]([CH2:39][CH2:32][CH2:26][CH2:20][CH2:24][CH2:28][CH2:35][C:46]([CH:49]([CH2:41][C:48]([CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[OH:55])=[O:58])[OH:59])=[O:56])=[O:60])[CH2:43][O:64][C:53]([CH2:40][CH2:33][CH2:27][CH2:21][CH2:25][CH2:31][CH2:38][CH:51]1[CH:50]([CH2:37][CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:61])[OH:57] |
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