| Properties | Image |
|---|
| MNX_ID | MNXM1177977 |
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| reference | envipathM:...0fdcfe6363d5 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | SZIVWPGWBAPTJQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-34-44(56)54(62)65-42(40-63-48(57)38-31-24-20-23-30-37-46-45(66-46)36-29-21-11-8-5-2)41-64-49(58)39-32-26-25-27-33-43(55)50(59)51(60)52(61)53-47(67-53)35-9-6-3/h12-13,15-16,21,29,42-47,50,52-53,55-56,59,61H,4-11,14,17-20,22-28,30-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C(O)C(=O)C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-34-44(56)54(62)65-42(40-63-48(57)38-31-24-20-23-30-37-46-45(66-46)36-29-21-11-8-5-2)41-64-49(58)39-32-26-25-27-33-43(55)50(59)51(60)52(61)53-47(67-53)35-9-6-3/h12-13,15-16,21,29,42-47,50,52-53,55-56,59,61H,4-11,14,17-20,22-28,30-41H2,1-3H3/b13-12?,16-15?,29-21?/t42?,43?,44?,45?,46?,47?,50?,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][CH2:22][CH2:28][CH2:34][CH:44]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:48]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:23][CH2:30][CH2:37][CH:46]1[CH:45]([CH2:36][CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:57])[CH2:41][O:64][C:49]([CH2:39][CH2:32][CH2:26][CH2:25][CH2:27][CH2:33][CH:43]([CH:50]([C:51]([CH:52]([CH:53]1[CH:47]([CH2:35][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:61])=[O:60])[OH:59])[OH:55])=[O:58])[OH:56] |
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