| Properties | Image |
|---|
| MNX_ID | MNXM1171169 |
 |
| reference | envipathM:...c8f00d7423b3 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | QVNMYBFPYFJDJD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-15-26-35-45-51(65-45)43(56)32-24-19-21-28-37-48(58)62-39-42(64-49(59)38-29-17-14-12-13-16-23-31-41(55)30-22-11-8-5-2)40-63-54(61)44(57)33-25-18-20-27-36-47-53(67-47)50(60)52-46(66-52)34-9-6-3/h15,23,26,31,41-47,50-53,55-57,60H,4-14,16-22,24-25,27-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-15-26-35-45-51(65-45)43(56)32-24-19-21-28-37-48(58)62-39-42(64-49(59)38-29-17-14-12-13-16-23-31-41(55)30-22-11-8-5-2)40-63-54(61)44(57)33-25-18-20-27-36-47-53(67-47)50(60)52-46(66-52)34-9-6-3/h15,23,26,31,41-47,50-53,55-57,60H,4-14,16-22,24-25,27-30,32-40H2,1-3H3/b26-15?,31-23?/t41?,42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:26][CH2:35][CH:45]1[CH:51]([CH:43]([CH2:32][CH2:24][CH2:19][CH2:21][CH2:28][CH2:37][C:48](=[O:58])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:54]([CH:44]([CH2:33][CH2:25][CH2:18][CH2:20][CH2:27][CH2:36][CH:47]2[CH:53]([CH:50]([CH:52]3[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]3)[OH:60])[O:67]2)[OH:57])=[O:61])[O:64][C:49]([CH2:38][CH2:29][CH2:17][CH2:14][CH2:12][CH2:13][CH2:16][CH:23]=[CH:31][CH:41]([CH2:30][CH2:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:59])[OH:56])[O:65]1 |
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