| Properties | Image |
|---|
| MNX_ID | MNXM1159507 |
 |
| reference | envipathM:...2db0af80cc90 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | HFCSLKIQQCAXIP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-19-27-41(55)36-37-42(56)28-20-15-18-26-35-52(61)66-43(39-64-51(60)34-25-14-12-13-24-33-48-50(68-48)38-49-47(67-49)32-9-6-3)40-65-54(63)46(59)31-23-17-16-22-30-45(58)53(62)44(57)29-21-11-8-5-2/h19,21,27,29,36-37,41-50,53,55-59,62H,4-18,20,22-26,28,30-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC(O)C(O)C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-19-27-41(55)36-37-42(56)28-20-15-18-26-35-52(61)66-43(39-64-51(60)34-25-14-12-13-24-33-48-50(68-48)38-49-47(67-49)32-9-6-3)40-65-54(63)46(59)31-23-17-16-22-30-45(58)53(62)44(57)29-21-11-8-5-2/h19,21,27,29,36-37,41-50,53,55-59,62H,4-18,20,22-26,28,30-35,38-40H2,1-3H3/b27-19?,29-21?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:19]=[CH:27][CH:41]([CH:36]=[CH:37][CH:42]([CH2:28][CH2:20][CH2:15][CH2:18][CH2:26][CH2:35][C:52](=[O:61])[O:66][CH:43]([CH2:39][O:64][C:51]([CH2:34][CH2:25][CH2:14][CH2:12][CH2:13][CH2:24][CH2:33][CH:48]1[CH:50]([CH2:38][CH:49]2[CH:47]([CH2:32][CH2:9][CH2:6][CH3:3])[O:67]2)[O:68]1)=[O:60])[CH2:40][O:65][C:54]([CH:46]([CH2:31][CH2:23][CH2:17][CH2:16][CH2:22][CH2:30][CH:45]([CH:53]([CH:44]([CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[OH:62])[OH:58])[OH:59])=[O:63])[OH:56])[OH:55] |
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