| Properties | Image |
|---|
| MNX_ID | MNXM1177089 |
 |
| reference | envipathM:...3cd57e7ab25f |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | NUUAOBTVFMGBJD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-23-31-43(56)52-47(66-52)35-26-18-15-19-27-36-50(59)62-39-42(64-54(61)45(58)33-25-17-14-12-10-11-13-16-22-30-41(55)29-6-3)40-63-51(60)37-28-21-20-24-32-44(57)53-49(67-53)38-48-46(65-48)34-8-5-2/h11,13,22-23,30-31,41-49,52-53,55-58H,4-10,12,14-21,24-29,32-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-23-31-43(56)52-47(66-52)35-26-18-15-19-27-36-50(59)62-39-42(64-54(61)45(58)33-25-17-14-12-10-11-13-16-22-30-41(55)29-6-3)40-63-51(60)37-28-21-20-24-32-44(57)53-49(67-53)38-48-46(65-48)34-8-5-2/h11,13,22-23,30-31,41-49,52-53,55-58H,4-10,12,14-21,24-29,32-40H2,1-3H3/b13-11?,30-22?,31-23?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:23]=[CH:31][CH:43]([CH:52]1[CH:47]([CH2:35][CH2:26][CH2:18][CH2:15][CH2:19][CH2:27][CH2:36][C:50](=[O:59])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:21][CH2:20][CH2:24][CH2:32][CH:44]([CH:53]2[CH:49]([CH2:38][CH:48]3[CH:46]([CH2:34][CH2:8][CH2:5][CH3:2])[O:65]3)[O:67]2)[OH:57])=[O:60])[O:64][C:54]([CH:45]([CH2:33][CH2:25][CH2:17][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:16][CH:22]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[OH:58])=[O:61])[O:66]1)[OH:56] |
|