| Properties | Image |
|---|
| MNX_ID | MNXM1186395 |
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| reference | envipathM:...4928be137549 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | TYRBQHKOALAQGT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-14-22-31-45-46(65-45)32-23-15-12-17-25-34-51(58)62-39-42(64-53(60)36-27-19-21-29-43(56)54(61)44(57)37-41(55)28-20-11-8-5-2)40-63-52(59)35-26-18-13-16-24-33-48-50(67-48)38-49-47(66-49)30-9-6-3/h14,20,22,28,41-50,54-57,61H,4-13,15-19,21,23-27,29-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCC(O)C(O)C(O)CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-14-22-31-45-46(65-45)32-23-15-12-17-25-34-51(58)62-39-42(64-53(60)36-27-19-21-29-43(56)54(61)44(57)37-41(55)28-20-11-8-5-2)40-63-52(59)35-26-18-13-16-24-33-48-50(67-48)38-49-47(66-49)30-9-6-3/h14,20,22,28,41-50,54-57,61H,4-13,15-19,21,23-27,29-40H2,1-3H3/b22-14?,28-20?/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:14]=[CH:22][CH2:31][CH:45]1[CH:46]([CH2:32][CH2:23][CH2:15][CH2:12][CH2:17][CH2:25][CH2:34][C:51](=[O:58])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:52]([CH2:35][CH2:26][CH2:18][CH2:13][CH2:16][CH2:24][CH2:33][CH:48]2[CH:50]([CH2:38][CH:49]3[CH:47]([CH2:30][CH2:9][CH2:6][CH3:3])[O:66]3)[O:67]2)=[O:59])[O:64][C:53]([CH2:36][CH2:27][CH2:19][CH2:21][CH2:29][CH:43]([CH:54]([CH:44]([CH2:37][CH:41]([CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])[OH:61])[OH:56])=[O:60])[O:65]1 |
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