| Properties | Image |
|---|
| MNX_ID | MNXM1181819 |
 |
| reference | envipathM:...448dd392e953 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | WHAQRHSYYDOEAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-24-32-44(56)53-54(66-53)45(57)33-25-21-22-28-37-51(59)62-41-43(63-52(60)38-29-19-15-13-11-10-12-14-17-23-31-42(55)30-6-3)40-61-50(58)36-27-20-16-18-26-35-47-49(65-47)39-48-46(64-48)34-8-5-2/h12,14,23-24,31-32,42-43,45-49,53-55,57H,4-11,13,15-22,25-30,33-41H2,1-3H3 |
| SMILES | CCCCC=CC(=O)C1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-24-32-44(56)53-54(66-53)45(57)33-25-21-22-28-37-51(59)62-41-43(63-52(60)38-29-19-15-13-11-10-12-14-17-23-31-42(55)30-6-3)40-61-50(58)36-27-20-16-18-26-35-47-49(65-47)39-48-46(64-48)34-8-5-2/h12,14,23-24,31-32,42-43,45-49,53-55,57H,4-11,13,15-22,25-30,33-41H2,1-3H3/b14-12?,31-23?,32-24?/t42?,43?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:24]=[CH:32][C:44]([CH:53]1[CH:54]([CH:45]([CH2:33][CH2:25][CH2:21][CH2:22][CH2:28][CH2:37][C:51](=[O:59])[O:62][CH2:41][CH:43]([CH2:40][O:61][C:50]([CH2:36][CH2:27][CH2:20][CH2:16][CH2:18][CH2:26][CH2:35][CH:47]2[CH:49]([CH2:39][CH:48]3[CH:46]([CH2:34][CH2:8][CH2:5][CH3:2])[O:64]3)[O:65]2)=[O:58])[O:63][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:60])[OH:57])[O:66]1)=[O:56] |
|