| Properties | Image |
|---|
| MNX_ID | MNXM1182342 |
 |
| reference | envipathM:...42c6e55241e0 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | WNGRTVHXVWNLLU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-16-25-34-45-46(65-45)35-26-19-15-20-27-36-50(58)62-39-42(64-54(61)44(57)32-23-18-14-12-10-11-13-17-22-30-41(55)29-6-3)40-63-51(59)37-28-21-24-31-43(56)52(60)53-49(67-53)38-48-47(66-48)33-8-5-2/h11,13,16,22,25,30,41-42,44-49,52-53,55,57,60H,4-10,12,14-15,17-21,23-24,26-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCC(=O)C(O)C1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-16-25-34-45-46(65-45)35-26-19-15-20-27-36-50(58)62-39-42(64-54(61)44(57)32-23-18-14-12-10-11-13-17-22-30-41(55)29-6-3)40-63-51(59)37-28-21-24-31-43(56)52(60)53-49(67-53)38-48-47(66-48)33-8-5-2/h11,13,16,22,25,30,41-42,44-49,52-53,55,57,60H,4-10,12,14-15,17-21,23-24,26-29,31-40H2,1-3H3/b13-11?,25-16?,30-22?/t41?,42?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:25][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:26][CH2:19][CH2:15][CH2:20][CH2:27][CH2:36][C:50](=[O:58])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:21][CH2:24][CH2:31][C:43]([CH:52]([CH:53]2[CH:49]([CH2:38][CH:48]3[CH:47]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)[OH:60])=[O:56])=[O:59])[O:64][C:54]([CH:44]([CH2:32][CH2:23][CH2:18][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:17][CH:22]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[OH:57])=[O:61])[O:65]1 |
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