| Properties | Image |
|---|
| MNX_ID | MNXM1189352 |
 |
| reference | envipathM:...4d7a13c62bf5 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | DMTXLBOLXMNACK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-18-27-35-46-47(65-46)36-28-20-17-21-29-37-51(59)62-40-42(64-54(61)45(58)33-24-19-15-13-11-9-8-10-12-14-16-22-30-38-55)41-63-53(60)44(57)32-26-23-25-31-43(56)52-50(67-52)39-49-48(66-49)34-6-4-2/h8-9,12,14,42-50,52,55-58H,3-7,10-11,13,15-41H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-18-27-35-46-47(65-46)36-28-20-17-21-29-37-51(59)62-40-42(64-54(61)45(58)33-24-19-15-13-11-9-8-10-12-14-16-22-30-38-55)41-63-53(60)44(57)32-26-23-25-31-43(56)52-50(67-52)39-49-48(66-49)34-6-4-2/h8-9,12,14,42-50,52,55-58H,3-7,10-11,13,15-41H2,1-2H3/b9-8?,14-12?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:18][CH2:27][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:21][CH2:29][CH2:37][C:51](=[O:59])[O:62][CH2:40][CH:42]([CH2:41][O:63][C:53]([CH:44]([CH2:32][CH2:26][CH2:23][CH2:25][CH2:31][CH:43]([CH:52]2[CH:50]([CH2:39][CH:49]3[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)[OH:56])[OH:57])=[O:60])[O:64][C:54]([CH:45]([CH2:33][CH2:24][CH2:19][CH2:15][CH2:13][CH2:11][CH:9]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:22][CH2:30][CH2:38][OH:55])[OH:58])=[O:61])[O:65]1 |
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