| Properties | Image |
|---|
| MNX_ID | MNXM1192743 |
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| reference | envipathM:...36910c75d9f4 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | ZEIGRXOFFFSZLG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-11-12-13-14-15-16-17-18-21-27-34-45(57)54(62)65-42(41-64-51(60)38-31-25-20-23-29-36-48-53(67-48)44(56)33-26-10-8-5-2)40-63-50(59)37-30-24-19-22-28-35-47-49(66-47)39-46(58)52(61)43(55)32-6-3/h11-12,14-15,26,33,42,44-49,52-53,56-58,61H,4-10,13,16-25,27-32,34-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(=O)CCC)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-11-12-13-14-15-16-17-18-21-27-34-45(57)54(62)65-42(41-64-51(60)38-31-25-20-23-29-36-48-53(67-48)44(56)33-26-10-8-5-2)40-63-50(59)37-30-24-19-22-28-35-47-49(66-47)39-46(58)52(61)43(55)32-6-3/h11-12,14-15,26,33,42,44-49,52-53,56-58,61H,4-10,13,16-25,27-32,34-41H2,1-3H3/b12-11?,15-14?,33-26?/t42?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:27][CH2:34][CH:45]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:24][CH2:19][CH2:22][CH2:28][CH2:35][CH:47]1[CH:49]([CH2:39][CH:46]([CH:52]([C:43]([CH2:32][CH2:6][CH3:3])=[O:55])[OH:61])[OH:58])[O:66]1)=[O:59])[CH2:41][O:64][C:51]([CH2:38][CH2:31][CH2:25][CH2:20][CH2:23][CH2:29][CH2:36][CH:48]1[CH:53]([CH:44]([CH:33]=[CH:26][CH2:10][CH2:8][CH2:5][CH3:2])[OH:56])[O:67]1)=[O:60])[OH:57] |
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