| Properties | Image |
|---|
| MNX_ID | MNXM1178820 |
 |
| reference | envipathM:...bce4a7f79414 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | SRHPAVZPFVBGNR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-17-24-32-43(55)33-25-22-23-31-40-51(60)66-44(42-65-50(59)39-30-21-15-19-28-37-48-47(67-48)36-27-16-11-8-5-2)41-64-49(58)38-29-20-14-18-26-35-46(57)53(62)54(63)52(61)45(56)34-9-6-3/h12-13,16,24,27,32,43-44,46-48,52-55,57,61-63H,4-11,14-15,17-23,25-26,28-31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C(O)C(=O)CCCC)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-17-24-32-43(55)33-25-22-23-31-40-51(60)66-44(42-65-50(59)39-30-21-15-19-28-37-48-47(67-48)36-27-16-11-8-5-2)41-64-49(58)38-29-20-14-18-26-35-46(57)53(62)54(63)52(61)45(56)34-9-6-3/h12-13,16,24,27,32,43-44,46-48,52-55,57,61-63H,4-11,14-15,17-23,25-26,28-31,33-42H2,1-3H3/b13-12?,27-16?,32-24?/t43?,44?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:24]=[CH:32][CH:43]([CH2:33][CH2:25][CH2:22][CH2:23][CH2:31][CH2:40][C:51](=[O:60])[O:66][CH:44]([CH2:41][O:64][C:49]([CH2:38][CH2:29][CH2:20][CH2:14][CH2:18][CH2:26][CH2:35][CH:46]([CH:53]([CH:54]([CH:52]([C:45]([CH2:34][CH2:9][CH2:6][CH3:3])=[O:56])[OH:61])[OH:63])[OH:62])[OH:57])=[O:58])[CH2:42][O:65][C:50]([CH2:39][CH2:30][CH2:21][CH2:15][CH2:19][CH2:28][CH2:37][CH:48]1[CH:47]([CH2:36][CH:27]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:67]1)=[O:59])[OH:55] |
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