| Properties | Image |
|---|
| MNX_ID | MNXM1192044 |
 |
| reference | envipathM:...cb80847146fb |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | ZFCMPXCZGLNOJF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-27-35-46(58)54(62)65-42(40-63-51(60)38-31-23-20-22-30-37-49-52(67-49)44(56)33-26-11-8-5-2)41-64-53(61)45(57)34-28-24-25-29-36-48-50(66-48)39-47(59)43(55)32-9-6-3/h12-13,15-16,26,33,42,44-50,52,56-59H,4-11,14,17-25,27-32,34-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC(O)C(=O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-27-35-46(58)54(62)65-42(40-63-51(60)38-31-23-20-22-30-37-49-52(67-49)44(56)33-26-11-8-5-2)41-64-53(61)45(57)34-28-24-25-29-36-48-50(66-48)39-47(59)43(55)32-9-6-3/h12-13,15-16,26,33,42,44-50,52,56-59H,4-11,14,17-25,27-32,34-41H2,1-3H3/b13-12?,16-15?,33-26?/t42?,44?,45?,46?,47?,48?,49?,50?,52? |
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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][CH2:21][CH2:27][CH2:35][CH:46]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:51]([CH2:38][CH2:31][CH2:23][CH2:20][CH2:22][CH2:30][CH2:37][CH:49]1[CH:52]([CH:44]([CH:33]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:67]1)=[O:60])[CH2:41][O:64][C:53]([CH:45]([CH2:34][CH2:28][CH2:24][CH2:25][CH2:29][CH2:36][CH:48]1[CH:50]([CH2:39][CH:47]([C:43]([CH2:32][CH2:9][CH2:6][CH3:3])=[O:55])[OH:59])[O:66]1)[OH:57])=[O:61])[OH:58] |
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