| Properties | Image |
|---|
| MNX_ID | MNXM1187570 |
 |
| reference | envipathM:...2e996a5c75ff |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | AGNFABGWMQYMQW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-18-28-36-48-52(67-48)43(56)31-25-23-26-33-45(58)54(61)63-41-42(64-51(59)37-29-19-16-14-12-10-8-9-11-13-15-17-22-30-38-55)40-62-53(60)44(57)32-24-20-21-27-35-47-50(66-47)39-49-46(65-49)34-6-4-2/h8-9,13,15,42-50,52,55-58H,3-7,10-12,14,16-41H2,1-2H3 |
| SMILES | CCCCCCCC1OC1C(O)CCCCCC(O)C(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-18-28-36-48-52(67-48)43(56)31-25-23-26-33-45(58)54(61)63-41-42(64-51(59)37-29-19-16-14-12-10-8-9-11-13-15-17-22-30-38-55)40-62-53(60)44(57)32-24-20-21-27-35-47-50(66-47)39-49-46(65-49)34-6-4-2/h8-9,13,15,42-50,52,55-58H,3-7,10-12,14,16-41H2,1-2H3/b9-8?,15-13?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:18][CH2:28][CH2:36][CH:48]1[CH:52]([CH:43]([CH2:31][CH2:25][CH2:23][CH2:26][CH2:33][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:42]([CH2:40][O:62][C:53]([CH:44]([CH2:32][CH2:24][CH2:20][CH2:21][CH2:27][CH2:35][CH:47]2[CH:50]([CH2:39][CH:49]3[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)[OH:57])=[O:60])[O:64][C:51]([CH2:37][CH2:29][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:22][CH2:30][CH2:38][OH:55])=[O:59])[OH:58])[OH:56])[O:67]1 |
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