| Properties | Image |
|---|
| MNX_ID | MNXM1190744 |
 |
| reference | envipathM:...1af823d11edb |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | PEOXPNOJYUWKBC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-29-42(56)31-28-34-47-46(65-47)33-23-16-15-18-24-35-50(59)62-40-43(64-52(61)37-26-17-13-11-9-7-5-6-8-10-12-14-21-27-38-55)41-63-51(60)36-25-20-19-22-32-45(58)54-49(67-54)39-48-53(66-48)44(57)30-4-2/h5-6,10,12,28,31,42-49,53-58H,3-4,7-9,11,13-27,29-30,32-41H2,1-2H3 |
| SMILES | CCCC(O)C=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-29-42(56)31-28-34-47-46(65-47)33-23-16-15-18-24-35-50(59)62-40-43(64-52(61)37-26-17-13-11-9-7-5-6-8-10-12-14-21-27-38-55)41-63-51(60)36-25-20-19-22-32-45(58)54-49(67-54)39-48-53(66-48)44(57)30-4-2/h5-6,10,12,28,31,42-49,53-58H,3-4,7-9,11,13-27,29-30,32-41H2,1-2H3/b6-5?,12-10?,31-28?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:29][CH:42]([CH:31]=[CH:28][CH2:34][CH:47]1[CH:46]([CH2:33][CH2:23][CH2:16][CH2:15][CH2:18][CH2:24][CH2:35][C:50](=[O:59])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:51]([CH2:36][CH2:25][CH2:20][CH2:19][CH2:22][CH2:32][CH:45]([CH:54]2[CH:49]([CH2:39][CH:48]3[CH:53]([CH:44]([CH2:30][CH2:4][CH3:2])[OH:57])[O:66]3)[O:67]2)[OH:58])=[O:60])[O:64][C:52]([CH2:37][CH2:26][CH2:17][CH2:13][CH2:11][CH2:9][CH2:7][CH:5]=[CH:6][CH2:8][CH:10]=[CH:12][CH2:14][CH2:21][CH2:27][CH2:38][OH:55])=[O:61])[O:65]1)[OH:56] |
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