| Properties | Image |
|---|
| MNX_ID | MNXM1139054 |
 |
| reference | envipathM:...bcd0b0f07928 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | LVDKOHZVQAWBNU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-14-25-34-45-46(65-45)35-26-17-13-18-27-36-50(58)62-39-42(64-54(61)52(60)43(56)31-23-16-12-15-22-30-41(55)29-21-11-8-5-2)40-63-51(59)37-28-20-19-24-32-44(57)53-49(67-53)38-48-47(66-48)33-9-6-3/h14,21-22,25,29-30,41-49,52-53,55-57,60H,4-13,15-20,23-24,26-28,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)C(O)C(O)CCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-14-25-34-45-46(65-45)35-26-17-13-18-27-36-50(58)62-39-42(64-54(61)52(60)43(56)31-23-16-12-15-22-30-41(55)29-21-11-8-5-2)40-63-51(59)37-28-20-19-24-32-44(57)53-49(67-53)38-48-47(66-48)33-9-6-3/h14,21-22,25,29-30,41-49,52-53,55-57,60H,4-13,15-20,23-24,26-28,31-40H2,1-3H3/b25-14?,29-21?,30-22?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:14]=[CH:25][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:26][CH2:17][CH2:13][CH2:18][CH2:27][CH2:36][C:50](=[O:58])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:20][CH2:19][CH2:24][CH2:32][CH:44]([CH:53]2[CH:49]([CH2:38][CH:48]3[CH:47]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]3)[O:67]2)[OH:57])=[O:59])[O:64][C:54]([CH:52]([CH:43]([CH2:31][CH2:23][CH2:16][CH2:12][CH2:15][CH:22]=[CH:30][CH:41]([CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])[OH:60])=[O:61])[O:65]1 |
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