| Properties | Image |
|---|
| MNX_ID | MNXM1185471 |
 |
| reference | envipathM:...c8400cf0989b |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | TWOXLHBCWMJEQR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-23-31-42(55)32-24-17-13-12-14-20-30-39-50(60)65-43(40-63-48(58)37-28-21-15-18-26-35-46-53(66-46)45(57)34-25-11-8-5-2)41-64-49(59)38-29-22-16-19-27-36-47-54(67-47)52(62)51(61)44(56)33-9-6-3/h23-25,31-32,34,42-47,52-57,62H,4-22,26-30,33,35-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC)COC(=O)CCCCCCCC1OC1C(O)C(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-23-31-42(55)32-24-17-13-12-14-20-30-39-50(60)65-43(40-63-48(58)37-28-21-15-18-26-35-46-53(66-46)45(57)34-25-11-8-5-2)41-64-49(59)38-29-22-16-19-27-36-47-54(67-47)52(62)51(61)44(56)33-9-6-3/h23-25,31-32,34,42-47,52-57,62H,4-22,26-30,33,35-41H2,1-3H3/b31-23?,32-24?,34-25?/t42?,43?,44?,45?,46?,47?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:23]=[CH:31][CH:42]([CH:32]=[CH:24][CH2:17][CH2:13][CH2:12][CH2:14][CH2:20][CH2:30][CH2:39][C:50](=[O:60])[O:65][CH:43]([CH2:40][O:63][C:48]([CH2:37][CH2:28][CH2:21][CH2:15][CH2:18][CH2:26][CH2:35][CH:46]1[CH:53]([CH:45]([CH:34]=[CH:25][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[O:66]1)=[O:58])[CH2:41][O:64][C:49]([CH2:38][CH2:29][CH2:22][CH2:16][CH2:19][CH2:27][CH2:36][CH:47]1[CH:54]([CH:52]([C:51]([CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:56])=[O:61])[OH:62])[O:67]1)=[O:59])[OH:55] |
|