| Properties | Image |
|---|
| MNX_ID | MNXM1181607 |
 |
| reference | envipathM:...4d692f255163 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | PPZHAKJCLOMDEU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-9-10-11-12-13-14-15-16-19-26-32-46(59)54(63)66-43(40-64-51(60)34-28-22-17-20-25-31-45(58)53(62)44(57)30-24-8-6-4-2)41-65-52(61)35-29-23-18-21-27-33-47-49(67-47)38-50-48(68-50)37-36-42(56)39-55/h9-10,12-13,24,30,42-50,53,55-59,62H,3-8,11,14-23,25-29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-9-10-11-12-13-14-15-16-19-26-32-46(59)54(63)66-43(40-64-51(60)34-28-22-17-20-25-31-45(58)53(62)44(57)30-24-8-6-4-2)41-65-52(61)35-29-23-18-21-27-33-47-49(67-47)38-50-48(68-50)37-36-42(56)39-55/h9-10,12-13,24,30,42-50,53,55-59,62H,3-8,11,14-23,25-29,31-41H2,1-2H3/b10-9?,13-12?,30-24?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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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][CH2:19][CH2:26][CH2:32][CH:46]([C:54](=[O:63])[O:66][CH:43]([CH2:40][O:64][C:51]([CH2:34][CH2:28][CH2:22][CH2:17][CH2:20][CH2:25][CH2:31][CH:45]([CH:53]([CH:44]([CH:30]=[CH:24][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:62])[OH:58])=[O:60])[CH2:41][O:65][C:52]([CH2:35][CH2:29][CH2:23][CH2:18][CH2:21][CH2:27][CH2:33][CH:47]1[CH:49]([CH2:38][CH:50]2[CH:48]([CH2:37][CH2:36][CH:42]([CH2:39][OH:55])[OH:56])[O:68]2)[O:67]1)=[O:61])[OH:59] |
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