| Properties | Image |
|---|
| MNX_ID | MNXM1181863 |
 |
| reference | envipathM:...e07c0c4d07a5 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | YFHXLSPFQHGCME-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-16-25-34-46-54(66-46)52(61)43(56)31-24-21-28-36-50(59)63-40-42(64-51(60)37-27-18-15-13-11-10-12-14-17-22-30-41(55)29-6-3)39-62-49(58)35-26-20-19-23-32-44(57)53-48(67-53)38-47-45(65-47)33-8-5-2/h12,14,16,25,41-48,52-57,61H,4-11,13,15,17-24,26-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)C(O)CCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-16-25-34-46-54(66-46)52(61)43(56)31-24-21-28-36-50(59)63-40-42(64-51(60)37-27-18-15-13-11-10-12-14-17-22-30-41(55)29-6-3)39-62-49(58)35-26-20-19-23-32-44(57)53-48(67-53)38-47-45(65-47)33-8-5-2/h12,14,16,25,41-48,52-57,61H,4-11,13,15,17-24,26-40H2,1-3H3/b14-12?,25-16?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:25][CH2:34][CH:46]1[CH:54]([CH:52]([CH:43]([CH2:31][CH2:24][CH2:21][CH2:28][CH2:36][C:50](=[O:59])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:49]([CH2:35][CH2:26][CH2:20][CH2:19][CH2:23][CH2:32][CH:44]([CH:53]2[CH:48]([CH2:38][CH:47]3[CH:45]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]3)[O:67]2)[OH:57])=[O:58])[O:64][C:51]([CH2:37][CH2:27][CH2:18][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:17][CH2:22][CH2:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])=[O:60])[OH:56])[OH:61])[O:66]1 |
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