| Properties | Image |
|---|
| MNX_ID | MNXM1176970 |
 |
| reference | envipathM:...657b108a3d30 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | SQCNDLCLAPWMJZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-28-35-52(62)66-43(40-64-50(60)33-27-22-18-20-26-32-48-47(67-48)31-25-19-8-6-4-2)41-65-51(61)34-29-23-24-30-45(58)53(63)54-49(68-54)38-46(59)44(57)37-36-42(56)39-55/h9-10,12-13,19,25,42-49,53-59,63H,3-8,11,14-18,20-24,26-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCC(O)C(O)C1OC1CC(O)C(O)CCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-28-35-52(62)66-43(40-64-50(60)33-27-22-18-20-26-32-48-47(67-48)31-25-19-8-6-4-2)41-65-51(61)34-29-23-24-30-45(58)53(63)54-49(68-54)38-46(59)44(57)37-36-42(56)39-55/h9-10,12-13,19,25,42-49,53-59,63H,3-8,11,14-18,20-24,26-41H2,1-2H3/b10-9?,13-12?,25-19?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:28][CH2:35][C:52](=[O:62])[O:66][CH:43]([CH2:40][O:64][C:50]([CH2:33][CH2:27][CH2:22][CH2:18][CH2:20][CH2:26][CH2:32][CH:48]1[CH:47]([CH2:31][CH:25]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)=[O:60])[CH2:41][O:65][C:51]([CH2:34][CH2:29][CH2:23][CH2:24][CH2:30][CH:45]([CH:53]([CH:54]1[CH:49]([CH2:38][CH:46]([CH:44]([CH2:37][CH2:36][CH:42]([CH2:39][OH:55])[OH:56])[OH:57])[OH:59])[O:68]1)[OH:63])[OH:58])=[O:61] |
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