| Properties | Image |
|---|
| MNX_ID | MNXM1178334 |
 |
| reference | envipathM:...dd32db9348db |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | GBNASZISDCOMMR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-15-26-35-46-47(65-46)36-27-20-18-25-32-44(57)53(60)63-40-42(64-54(61)45(58)33-24-17-14-12-10-11-13-16-22-30-41(55)29-6-3)39-62-51(59)37-28-21-19-23-31-43(56)52-50(67-52)38-49-48(66-49)34-8-5-2/h11,13,15,22,26,30,41-43,45-50,52,55-56,58H,4-10,12,14,16-21,23-25,27-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(=O)C(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-15-26-35-46-47(65-46)36-27-20-18-25-32-44(57)53(60)63-40-42(64-54(61)45(58)33-24-17-14-12-10-11-13-16-22-30-41(55)29-6-3)39-62-51(59)37-28-21-19-23-31-43(56)52-50(67-52)38-49-48(66-49)34-8-5-2/h11,13,15,22,26,30,41-43,45-50,52,55-56,58H,4-10,12,14,16-21,23-25,27-29,31-40H2,1-3H3/b13-11?,26-15?,30-22?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:26][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:27][CH2:20][CH2:18][CH2:25][CH2:32][C:44]([C:53](=[O:60])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:51]([CH2:37][CH2:28][CH2:21][CH2:19][CH2:23][CH2:31][CH:43]([CH:52]2[CH:50]([CH2:38][CH:49]3[CH:48]([CH2:34][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)[OH:56])=[O:59])[O:64][C:54]([CH:45]([CH2:33][CH2:24][CH2:17][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:16][CH:22]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[OH:58])=[O:61])=[O:57])[O:65]1 |
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