| Properties | Image |
|---|
| MNX_ID | MNXM1192706 |
 |
| reference | envipathM:...a6252d454893 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | NLTVUSGUNWZMEF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-35-50(60)65-43(39-63-49(59)34-25-19-16-17-23-31-45-46(66-45)33-27-29-41(56)28-4-2)40-64-54(62)44(58)30-22-20-21-24-32-47-52(67-47)51(61)53-48(68-53)37-36-42(57)38-55/h7-8,10-11,27,29,41-48,51-53,55-58,61H,3-6,9,12-26,28,30-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-35-50(60)65-43(39-63-49(59)34-25-19-16-17-23-31-45-46(66-45)33-27-29-41(56)28-4-2)40-64-54(62)44(58)30-22-20-21-24-32-47-52(67-47)51(61)53-48(68-53)37-36-42(57)38-55/h7-8,10-11,27,29,41-48,51-53,55-58,61H,3-6,9,12-26,28,30-40H2,1-2H3/b8-7?,11-10?,29-27?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:26][CH2:35][C:50](=[O:60])[O:65][CH:43]([CH2:39][O:63][C:49]([CH2:34][CH2:25][CH2:19][CH2:16][CH2:17][CH2:23][CH2:31][CH:45]1[CH:46]([CH2:33][CH:27]=[CH:29][CH:41]([CH2:28][CH2:4][CH3:2])[OH:56])[O:66]1)=[O:59])[CH2:40][O:64][C:54]([CH:44]([CH2:30][CH2:22][CH2:20][CH2:21][CH2:24][CH2:32][CH:47]1[CH:52]([CH:51]([CH:53]2[CH:48]([CH2:37][CH2:36][CH:42]([CH2:38][OH:55])[OH:57])[O:68]2)[OH:61])[O:67]1)[OH:58])=[O:62] |
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