| Properties | Image |
|---|
| MNX_ID | MNXM1182597 |
 |
| reference | envipathM:...8760763f8f76 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | PYOYECMUAPDZIJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-10-11-13-20-28-42(56)29-21-16-18-26-35-52(63)66-43(39-64-50(61)33-24-15-12-14-22-30-44(57)47(60)38-49-48(67-49)32-8-5-2)40-65-51(62)34-25-19-17-23-31-45(58)53-54(68-53)46(59)37-36-41(55)27-6-3/h10-11,20,28,36-37,41-49,53-60H,4-9,12-19,21-27,29-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1C(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-10-11-13-20-28-42(56)29-21-16-18-26-35-52(63)66-43(39-64-50(61)33-24-15-12-14-22-30-44(57)47(60)38-49-48(67-49)32-8-5-2)40-65-51(62)34-25-19-17-23-31-45(58)53-54(68-53)46(59)37-36-41(55)27-6-3/h10-11,20,28,36-37,41-49,53-60H,4-9,12-19,21-27,29-35,38-40H2,1-3H3/b11-10?,28-20?,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][CH2:9][CH:10]=[CH:11][CH2:13][CH:20]=[CH:28][CH:42]([CH2:29][CH2:21][CH2:16][CH2:18][CH2:26][CH2:35][C:52](=[O:63])[O:66][CH:43]([CH2:39][O:64][C:50]([CH2:33][CH2:24][CH2:15][CH2:12][CH2:14][CH2:22][CH2:30][CH:44]([CH:47]([CH2:38][CH:49]1[CH:48]([CH2:32][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:60])[OH:57])=[O:61])[CH2:40][O:65][C:51]([CH2:34][CH2:25][CH2:19][CH2:17][CH2:23][CH2:31][CH:45]([CH:53]1[CH:54]([CH:46]([CH:37]=[CH:36][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:59])[O:68]1)[OH:58])=[O:62])[OH:56] |
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