| Properties | Image |
|---|
| MNX_ID | MNXM1175335 |
 |
| reference | envipathM:...6a0c47e604c4 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | WQOYWZXKQZWCIJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-29-42(56)37-45(58)53-48(67-53)34-25-17-15-19-26-35-51(59)62-39-43(64-52(60)36-27-18-14-12-10-9-11-13-16-22-30-41(55)28-6-3)40-63-54(61)44(57)31-23-20-21-24-33-47-50(66-47)38-49-46(65-49)32-8-5-2/h11,13,22,30,41-44,46-50,53,55-57H,4-10,12,14-21,23-29,31-40H2,1-3H3 |
| SMILES | CCCCC(O)CC(=O)C1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-29-42(56)37-45(58)53-48(67-53)34-25-17-15-19-26-35-51(59)62-39-43(64-52(60)36-27-18-14-12-10-9-11-13-16-22-30-41(55)28-6-3)40-63-54(61)44(57)31-23-20-21-24-33-47-50(66-47)38-49-46(65-49)32-8-5-2/h11,13,22,30,41-44,46-50,53,55-57H,4-10,12,14-21,23-29,31-40H2,1-3H3/b13-11?,30-22?/t41?,42?,43?,44?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:29][CH:42]([CH2:37][C:45]([CH:53]1[CH:48]([CH2:34][CH2:25][CH2:17][CH2:15][CH2:19][CH2:26][CH2:35][C:51](=[O:59])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:54]([CH:44]([CH2:31][CH2:23][CH2:20][CH2:21][CH2:24][CH2:33][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)[OH:57])=[O:61])[O:64][C:52]([CH2:36][CH2:27][CH2:18][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:16][CH:22]=[CH:30][CH:41]([CH2:28][CH2:6][CH3:3])[OH:55])=[O:60])[O:67]1)=[O:58])[OH:56] |
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