| Properties | Image |
|---|
| MNX_ID | MNXM1184312 |
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| reference | envipathM:...2021ad74b382 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | HFJZXMFRNIGWQZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-13-22-31-46-47(65-46)32-23-14-12-15-24-33-51(59)62-39-42(64-53(61)35-26-18-21-28-43(56)44(57)37-36-41(55)27-19-11-8-5-2)40-63-52(60)34-25-17-16-20-29-45(58)54-50(67-54)38-49-48(66-49)30-9-6-3/h13,19,22,27,41-50,54-58H,4-12,14-18,20-21,23-26,28-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCC(O)C(O)CCC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-13-22-31-46-47(65-46)32-23-14-12-15-24-33-51(59)62-39-42(64-53(61)35-26-18-21-28-43(56)44(57)37-36-41(55)27-19-11-8-5-2)40-63-52(60)34-25-17-16-20-29-45(58)54-50(67-54)38-49-48(66-49)30-9-6-3/h13,19,22,27,41-50,54-58H,4-12,14-18,20-21,23-26,28-40H2,1-3H3/b22-13?,27-19?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:13]=[CH:22][CH2:31][CH:46]1[CH:47]([CH2:32][CH2:23][CH2:14][CH2:12][CH2:15][CH2:24][CH2:33][C:51](=[O:59])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:52]([CH2:34][CH2:25][CH2:17][CH2:16][CH2:20][CH2:29][CH:45]([CH:54]2[CH:50]([CH2:38][CH:49]3[CH:48]([CH2:30][CH2:9][CH2:6][CH3:3])[O:66]3)[O:67]2)[OH:58])=[O:60])[O:64][C:53]([CH2:35][CH2:26][CH2:18][CH2:21][CH2:28][CH:43]([CH:44]([CH2:37][CH2:36][CH:41]([CH:27]=[CH:19][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])[OH:56])=[O:61])[O:65]1 |
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