| Properties | Image |
|---|
| MNX_ID | MNXM1187737 |
 |
| reference | envipathM:...bba9fae1bc8f |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | KXCNJVAYUBTVPD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-11-12-13-14-15-16-17-20-27-34-44(57)52(62)54(63)66-41(39-64-49(59)36-29-23-18-21-26-33-43(56)51(61)42(55)32-25-10-8-5-2)40-65-50(60)37-30-24-19-22-28-35-46-47(67-46)38-48-53(68-48)45(58)31-6-3/h11-12,14-15,25,32,41-48,51-53,55-58,61-62H,4-10,13,16-24,26-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-11-12-13-14-15-16-17-20-27-34-44(57)52(62)54(63)66-41(39-64-49(59)36-29-23-18-21-26-33-43(56)51(61)42(55)32-25-10-8-5-2)40-65-50(60)37-30-24-19-22-28-35-46-47(67-46)38-48-53(68-48)45(58)31-6-3/h11-12,14-15,25,32,41-48,51-53,55-58,61-62H,4-10,13,16-24,26-31,33-40H2,1-3H3/b12-11?,15-14?,32-25?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:20][CH2:27][CH2:34][CH:44]([CH:52]([C:54](=[O:63])[O:66][CH:41]([CH2:39][O:64][C:49]([CH2:36][CH2:29][CH2:23][CH2:18][CH2:21][CH2:26][CH2:33][CH:43]([CH:51]([CH:42]([CH:32]=[CH:25][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:61])[OH:56])=[O:59])[CH2:40][O:65][C:50]([CH2:37][CH2:30][CH2:24][CH2:19][CH2:22][CH2:28][CH2:35][CH:46]1[CH:47]([CH2:38][CH:48]2[CH:53]([CH:45]([CH2:31][CH2:6][CH3:3])[OH:58])[O:68]2)[O:67]1)=[O:60])[OH:62])[OH:57] |
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