| Properties | Image |
|---|
| MNX_ID | MNXM1198034 |
 |
| reference | envipathM:...187468627de3 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | JCJKKIPKYIXGIA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-11-12-13-14-15-16-17-20-25-32-41(55)48(59)54(62)65-40(39-64-53(61)43(57)33-26-23-24-28-35-45-44(66-45)34-27-19-10-8-5-2)38-63-47(58)37-30-22-18-21-29-36-46-51(67-46)49(60)52-50(68-52)42(56)31-6-3/h11-12,14-15,19,27,40-46,48-52,55-57,59-60H,4-10,13,16-18,20-26,28-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)CCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-11-12-13-14-15-16-17-20-25-32-41(55)48(59)54(62)65-40(39-64-53(61)43(57)33-26-23-24-28-35-45-44(66-45)34-27-19-10-8-5-2)38-63-47(58)37-30-22-18-21-29-36-46-51(67-46)49(60)52-50(68-52)42(56)31-6-3/h11-12,14-15,19,27,40-46,48-52,55-57,59-60H,4-10,13,16-18,20-26,28-39H2,1-3H3/b12-11?,15-14?,27-19?/t40?,41?,42?,43?,44?,45?,46?,48?,49?,50?,51?,52? |
 |
| 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][CH2:25][CH2:32][CH:41]([CH:48]([C:54](=[O:62])[O:65][CH:40]([CH2:38][O:63][C:47]([CH2:37][CH2:30][CH2:22][CH2:18][CH2:21][CH2:29][CH2:36][CH:46]1[CH:51]([CH:49]([CH:52]2[CH:50]([CH:42]([CH2:31][CH2:6][CH3:3])[OH:56])[O:68]2)[OH:60])[O:67]1)=[O:58])[CH2:39][O:64][C:53]([CH:43]([CH2:33][CH2:26][CH2:23][CH2:24][CH2:28][CH2:35][CH:45]1[CH:44]([CH2:34][CH:27]=[CH:19][CH2:10][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:57])=[O:61])[OH:59])[OH:55] |
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