| Properties | Image |
|---|
| MNX_ID | MNXM1173493 |
 |
| reference | envipathM:...83ffba4b5c11 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | LIRPYKXGEXZNNG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-30-36-51(60)64-42(41-63-50(59)35-29-24-19-21-27-33-46-53(66-46)44(57)31-25-8-6-4-2)40-62-49(58)34-28-23-18-20-26-32-45-47(65-45)39-48-54(67-48)52(61)43(56)37-38-55/h9-10,25,31,42-48,52-57,61H,3-8,11-24,26-30,32-41H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)CCO)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-30-36-51(60)64-42(41-63-50(59)35-29-24-19-21-27-33-46-53(66-46)44(57)31-25-8-6-4-2)40-62-49(58)34-28-23-18-20-26-32-45-47(65-45)39-48-54(67-48)52(61)43(56)37-38-55/h9-10,25,31,42-48,52-57,61H,3-8,11-24,26-30,32-41H2,1-2H3/b10-9?,31-25?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:30][CH2:36][C:51](=[O:60])[O:64][CH:42]([CH2:40][O:62][C:49]([CH2:34][CH2:28][CH2:23][CH2:18][CH2:20][CH2:26][CH2:32][CH:45]1[CH:47]([CH2:39][CH:48]2[CH:54]([CH:52]([CH:43]([CH2:37][CH2:38][OH:55])[OH:56])[OH:61])[O:67]2)[O:65]1)=[O:58])[CH2:41][O:63][C:50]([CH2:35][CH2:29][CH2:24][CH2:19][CH2:21][CH2:27][CH2:33][CH:46]1[CH:53]([CH:44]([CH:31]=[CH:25][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[O:66]1)=[O:59] |
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