| Properties | Image |
|---|
| MNX_ID | MNXM1182588 |
 |
| reference | envipathM:...5a7065807649 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | AXEWQCZCIPFWIM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-14-23-32-43(56)44(57)33-24-17-13-18-27-36-50(61)64-39-42(66-54(63)47(60)35-26-16-12-11-15-22-31-41(55)30-21-10-8-5-2)40-65-51(62)37-28-20-19-25-34-46(59)53-49(68-53)38-48-52(67-48)45(58)29-6-3/h14,21-23,30-31,41-49,52-53,55-60H,4-13,15-20,24-29,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC)OC(=O)C(O)CCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-14-23-32-43(56)44(57)33-24-17-13-18-27-36-50(61)64-39-42(66-54(63)47(60)35-26-16-12-11-15-22-31-41(55)30-21-10-8-5-2)40-65-51(62)37-28-20-19-25-34-46(59)53-49(68-53)38-48-52(67-48)45(58)29-6-3/h14,21-23,30-31,41-49,52-53,55-60H,4-13,15-20,24-29,32-40H2,1-3H3/b23-14?,30-21?,31-22?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:14]=[CH:23][CH2:32][CH:43]([CH:44]([CH2:33][CH2:24][CH2:17][CH2:13][CH2:18][CH2:27][CH2:36][C:50](=[O:61])[O:64][CH2:39][CH:42]([CH2:40][O:65][C:51]([CH2:37][CH2:28][CH2:20][CH2:19][CH2:25][CH2:34][CH:46]([CH:53]1[CH:49]([CH2:38][CH:48]2[CH:52]([CH:45]([CH2:29][CH2:6][CH3:3])[OH:58])[O:67]2)[O:68]1)[OH:59])=[O:62])[O:66][C:54]([CH:47]([CH2:35][CH2:26][CH2:16][CH2:12][CH2:11][CH2:15][CH:22]=[CH:31][CH:41]([CH:30]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:60])=[O:63])[OH:57])[OH:56] |
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