| Properties | Image |
|---|
| MNX_ID | MNXM1182725 |
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| reference | envipathM:...ed2af5a6269e |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | MENVCQHTLDADHA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-50(58)64-43(42-63-54(61)45(56)35-29-26-27-31-38-47-46(65-47)37-30-22-11-8-5-2)41-62-49(57)39-32-25-21-23-28-34-44(55)51(59)52(60)53-48(66-53)36-9-6-3/h12-13,15-16,22,30,43-44,46-48,51-53,55,59-60H,4-11,14,17-21,23-29,31-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1CCCC)COC(=O)C(=O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-50(58)64-43(42-63-54(61)45(56)35-29-26-27-31-38-47-46(65-47)37-30-22-11-8-5-2)41-62-49(57)39-32-25-21-23-28-34-44(55)51(59)52(60)53-48(66-53)36-9-6-3/h12-13,15-16,22,30,43-44,46-48,51-53,55,59-60H,4-11,14,17-21,23-29,31-42H2,1-3H3/b13-12?,16-15?,30-22?/t43?,44?,46?,47?,48?,51?,52?,53? |
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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][CH2:24][CH2:33][CH2:40][C:50](=[O:58])[O:64][CH:43]([CH2:41][O:62][C:49]([CH2:39][CH2:32][CH2:25][CH2:21][CH2:23][CH2:28][CH2:34][CH:44]([CH:51]([CH:52]([CH:53]1[CH:48]([CH2:36][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:60])[OH:59])[OH:55])=[O:57])[CH2:42][O:63][C:54]([C:45]([CH2:35][CH2:29][CH2:26][CH2:27][CH2:31][CH2:38][CH:47]1[CH:46]([CH2:37][CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:56])=[O:61] |
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