| Properties | Image |
|---|
| MNX_ID | MNXM1250812 |
 |
| reference | envipathM:...6f66615270bd |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | JTOXXRGFACTTQQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-24-32-44(56)53(62)45(57)33-25-18-16-20-27-36-50(59)63-40-43(65-52(61)38-29-19-15-13-11-10-12-14-17-23-31-42(55)30-6-3)41-64-51(60)37-28-22-21-26-34-46(58)54-49(67-54)39-48-47(66-48)35-8-5-2/h12,14,23-24,31-32,42-44,46-49,53-56,58,62H,4-11,13,15-22,25-30,33-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C(O)C(=O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-24-32-44(56)53(62)45(57)33-25-18-16-20-27-36-50(59)63-40-43(65-52(61)38-29-19-15-13-11-10-12-14-17-23-31-42(55)30-6-3)41-64-51(60)37-28-22-21-26-34-46(58)54-49(67-54)39-48-47(66-48)35-8-5-2/h12,14,23-24,31-32,42-44,46-49,53-56,58,62H,4-11,13,15-22,25-30,33-41H2,1-3H3/b14-12?,31-23?,32-24?/t42?,43?,44?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:24]=[CH:32][CH:44]([CH:53]([C:45]([CH2:33][CH2:25][CH2:18][CH2:16][CH2:20][CH2:27][CH2:36][C:50](=[O:59])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:51]([CH2:37][CH2:28][CH2:22][CH2:21][CH2:26][CH2:34][CH:46]([CH:54]1[CH:49]([CH2:39][CH:48]2[CH:47]([CH2:35][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)[OH:58])=[O:60])[O:65][C:52]([CH2:38][CH2:29][CH2:19][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:17][CH:23]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:61])=[O:57])[OH:62])[OH:56] |
|