| Properties | Image |
|---|
| MNX_ID | MNXM1174923 |
 |
| reference | envipathM:...fb4e89aec712 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | QGIBVVZPQSYLBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-27-37-51(61)64-42(39-62-49(59)35-25-21-19-23-32-44(57)52-46(65-52)34-28-31-41(55)29-5-2)40-63-50(60)36-26-22-20-24-33-45(58)54-48(67-54)38-47-53(66-47)43(56)30-6-3/h9-10,12-13,28,31,41-48,52-58H,4-8,11,14-27,29-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CC(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-27-37-51(61)64-42(39-62-49(59)35-25-21-19-23-32-44(57)52-46(65-52)34-28-31-41(55)29-5-2)40-63-50(60)36-26-22-20-24-33-45(58)54-48(67-54)38-47-53(66-47)43(56)30-6-3/h9-10,12-13,28,31,41-48,52-58H,4-8,11,14-27,29-30,32-40H2,1-3H3/b10-9?,13-12?,31-28?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:27][CH2:37][C:51](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:49]([CH2:35][CH2:25][CH2:21][CH2:19][CH2:23][CH2:32][CH:44]([CH:52]1[CH:46]([CH2:34][CH:28]=[CH:31][CH:41]([CH2:29][CH2:5][CH3:2])[OH:55])[O:65]1)[OH:57])=[O:59])[CH2:40][O:63][C:50]([CH2:36][CH2:26][CH2:22][CH2:20][CH2:24][CH2:33][CH:45]([CH:54]1[CH:48]([CH2:38][CH:47]2[CH:53]([CH:43]([CH2:30][CH2:6][CH3:3])[OH:56])[O:66]2)[O:67]1)[OH:58])=[O:60] |
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