| Properties | Image |
|---|
| MNX_ID | MNXM1194085 |
 |
| reference | envipathM:...a655343459ca |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | ICFHONBMXXQPHO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-12-23-32-48-53(67-48)45(58)30-21-14-17-24-33-50(61)64-39-43(66-52(63)35-26-16-13-20-28-42(56)37-36-41(55)27-19-11-8-5-2)40-65-51(62)34-25-18-15-22-31-46(59)54-49(68-54)38-47(60)44(57)29-9-6-3/h12,19,23,27,36-37,41-49,53-60H,4-11,13-18,20-22,24-26,28-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCC(O)C=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-12-23-32-48-53(67-48)45(58)30-21-14-17-24-33-50(61)64-39-43(66-52(63)35-26-16-13-20-28-42(56)37-36-41(55)27-19-11-8-5-2)40-65-51(62)34-25-18-15-22-31-46(59)54-49(68-54)38-47(60)44(57)29-9-6-3/h12,19,23,27,36-37,41-49,53-60H,4-11,13-18,20-22,24-26,28-35,38-40H2,1-3H3/b23-12?,27-19?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:23][CH2:32][CH:48]1[CH:53]([CH:45]([CH2:30][CH2:21][CH2:14][CH2:17][CH2:24][CH2:33][C:50](=[O:61])[O:64][CH2:39][CH:43]([CH2:40][O:65][C:51]([CH2:34][CH2:25][CH2:18][CH2:15][CH2:22][CH2:31][CH:46]([CH:54]2[CH:49]([CH2:38][CH:47]([CH:44]([CH2:29][CH2:9][CH2:6][CH3:3])[OH:57])[OH:60])[O:68]2)[OH:59])=[O:62])[O:66][C:52]([CH2:35][CH2:26][CH2:16][CH2:13][CH2:20][CH2:28][CH:42]([CH:37]=[CH:36][CH:41]([CH:27]=[CH:19][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:63])[OH:58])[O:67]1 |
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