| Properties | Image |
|---|
| MNX_ID | MNXM1190194 |
 |
| reference | envipathM:...67dfb3d2dda2 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | UHZJXUJTBQJZRR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-24-32-45(58)54(61)64-42(40-62-51(59)37-29-21-17-20-27-35-47-46(65-47)34-26-18-8-6-4-2)41-63-53(60)44(57)31-25-22-23-28-36-48-49(66-48)39-50-52(67-50)43(56)33-30-38-55/h9-10,12-13,18,26,42-50,52,55-58H,3-8,11,14-17,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-24-32-45(58)54(61)64-42(40-62-51(59)37-29-21-17-20-27-35-47-46(65-47)34-26-18-8-6-4-2)41-63-53(60)44(57)31-25-22-23-28-36-48-49(66-48)39-50-52(67-50)43(56)33-30-38-55/h9-10,12-13,18,26,42-50,52,55-58H,3-8,11,14-17,19-25,27-41H2,1-2H3/b10-9?,13-12?,26-18?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:24][CH2:32][CH:45]([C:54](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:51]([CH2:37][CH2:29][CH2:21][CH2:17][CH2:20][CH2:27][CH2:35][CH:47]1[CH:46]([CH2:34][CH:26]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH:44]([CH2:31][CH2:25][CH2:22][CH2:23][CH2:28][CH2:36][CH:48]1[CH:49]([CH2:39][CH:50]2[CH:52]([CH:43]([CH2:33][CH2:30][CH2:38][OH:55])[OH:56])[O:67]2)[O:66]1)[OH:57])=[O:60])[OH:58] |
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