| Properties | Image |
|---|
| MNX_ID | MNXM1193509 |
 |
| reference | envipathM:...0569d2bd4554 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | VIQRORKHSMYEBB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-6-17-27-35-47-52(66-47)44(57)32-24-21-22-29-37-51(60)63-41-42(64-54(61)45(58)33-25-18-14-12-10-8-7-9-11-13-15-23-30-38-55)40-62-50(59)36-28-20-16-19-26-34-46-48(65-46)39-49-53(67-49)43(56)31-4-2/h7-8,17,27,42-49,52-53,55-58H,3-6,9-16,18-26,28-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)C(O)CCCCCCC=CCCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-6-17-27-35-47-52(66-47)44(57)32-24-21-22-29-37-51(60)63-41-42(64-54(61)45(58)33-25-18-14-12-10-8-7-9-11-13-15-23-30-38-55)40-62-50(59)36-28-20-16-19-26-34-46-48(65-46)39-49-53(67-49)43(56)31-4-2/h7-8,17,27,42-49,52-53,55-58H,3-6,9-16,18-26,28-41H2,1-2H3/b8-7?,27-17?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:17]=[CH:27][CH2:35][CH:47]1[CH:52]([CH:44]([CH2:32][CH2:24][CH2:21][CH2:22][CH2:29][CH2:37][C:51](=[O:60])[O:63][CH2:41][CH:42]([CH2:40][O:62][C:50]([CH2:36][CH2:28][CH2:20][CH2:16][CH2:19][CH2:26][CH2:34][CH:46]2[CH:48]([CH2:39][CH:49]3[CH:53]([CH:43]([CH2:31][CH2:4][CH3:2])[OH:56])[O:67]3)[O:65]2)=[O:59])[O:64][C:54]([CH:45]([CH2:33][CH2:25][CH2:18][CH2:14][CH2:12][CH2:10][CH:8]=[CH:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:23][CH2:30][CH2:38][OH:55])[OH:58])=[O:61])[OH:57])[O:66]1 |
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