| Properties | Image |
|---|
| MNX_ID | MNXM1176595 |
 |
| reference | envipathM:...c2ec6a7110ef |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | HYJFBUDAKDSZOX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-10-11-12-13-14-15-16-17-20-25-31-44(57)54(61)64-42(39-62-48(58)35-28-23-18-21-26-33-45-51(65-45)43(56)38-37-41(55)30-6-3)40-63-49(59)36-29-24-19-22-27-34-47-53(67-47)50(60)52-46(66-52)32-8-5-2/h10-11,13-14,37-38,41-43,45-47,50-53,55-56,60H,4-9,12,15-36,39-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(=O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-10-11-12-13-14-15-16-17-20-25-31-44(57)54(61)64-42(39-62-48(58)35-28-23-18-21-26-33-45-51(65-45)43(56)38-37-41(55)30-6-3)40-63-49(59)36-29-24-19-22-27-34-47-53(67-47)50(60)52-46(66-52)32-8-5-2/h10-11,13-14,37-38,41-43,45-47,50-53,55-56,60H,4-9,12,15-36,39-40H2,1-3H3/b11-10?,14-13?,38-37?/t41?,42?,43?,45?,46?,47?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:25][CH2:31][C:44]([C:54](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:48]([CH2:35][CH2:28][CH2:23][CH2:18][CH2:21][CH2:26][CH2:33][CH:45]1[CH:51]([CH:43]([CH:38]=[CH:37][CH:41]([CH2:30][CH2:6][CH3:3])[OH:55])[OH:56])[O:65]1)=[O:58])[CH2:40][O:63][C:49]([CH2:36][CH2:29][CH2:24][CH2:19][CH2:22][CH2:27][CH2:34][CH:47]1[CH:53]([CH:50]([CH:52]2[CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:60])[O:67]1)=[O:59])=[O:57] |
|