| Properties | Image |
|---|
| MNX_ID | MNXM1181840 |
 |
| reference | envipathM:...705bdcdbce47 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | KZPCACOKAKHNKZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-37-50(58)64-41(39-62-49(57)36-28-25-21-23-26-34-45-48(66-45)38-47-44(65-47)33-9-6-3)40-63-54(61)52(60)51(59)42(55)31-30-32-43(56)53-46(67-53)35-27-22-11-8-5-2/h12-13,22,27,41-48,51-53,55-56,59-60H,4-11,14-21,23-26,28-40H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)C(O)C(O)CCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-37-50(58)64-41(39-62-49(57)36-28-25-21-23-26-34-45-48(66-45)38-47-44(65-47)33-9-6-3)40-63-54(61)52(60)51(59)42(55)31-30-32-43(56)53-46(67-53)35-27-22-11-8-5-2/h12-13,22,27,41-48,51-53,55-56,59-60H,4-11,14-21,23-26,28-40H2,1-3H3/b13-12?,27-22?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:29][CH2:37][C:50](=[O:58])[O:64][CH:41]([CH2:39][O:62][C:49]([CH2:36][CH2:28][CH2:25][CH2:21][CH2:23][CH2:26][CH2:34][CH:45]1[CH:48]([CH2:38][CH:47]2[CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:57])[CH2:40][O:63][C:54]([CH:52]([CH:51]([CH:42]([CH2:31][CH2:30][CH2:32][CH:43]([CH:53]1[CH:46]([CH2:35][CH:27]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:56])[OH:55])[OH:59])[OH:60])=[O:61] |
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