| Properties | Image |
|---|
| MNX_ID | MNXM1194856 |
 |
| reference | envipathM:...fdabbbe9dd2c |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | VBHDMDBDGGHWQY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-31-38-48(60)64-41(39-62-46(58)36-29-24-22-27-33-43(56)51-50(66-51)42(55)32-26-11-8-5-2)40-63-47(59)37-30-25-23-28-34-44(57)52-54(67-52)49(61)53-45(65-53)35-9-6-3/h12-13,15-16,26,32,41-45,50-57H,4-11,14,17-25,27-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1C(=O)C1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-31-38-48(60)64-41(39-62-46(58)36-29-24-22-27-33-43(56)51-50(66-51)42(55)32-26-11-8-5-2)40-63-47(59)37-30-25-23-28-34-44(57)52-54(67-52)49(61)53-45(65-53)35-9-6-3/h12-13,15-16,26,32,41-45,50-57H,4-11,14,17-25,27-31,33-40H2,1-3H3/b13-12?,16-15?,32-26?/t41?,42?,43?,44?,45?,50?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:31][CH2:38][C:48](=[O:60])[O:64][CH:41]([CH2:39][O:62][C:46]([CH2:36][CH2:29][CH2:24][CH2:22][CH2:27][CH2:33][CH:43]([CH:51]1[CH:50]([CH:42]([CH:32]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[O:66]1)[OH:56])=[O:58])[CH2:40][O:63][C:47]([CH2:37][CH2:30][CH2:25][CH2:23][CH2:28][CH2:34][CH:44]([CH:52]1[CH:54]([C:49]([CH:53]2[CH:45]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)=[O:61])[O:67]1)[OH:57])=[O:59] |
|