| Properties | Image |
|---|
| MNX_ID | MNXM1176811 |
 |
| reference | envipathM:...3e564c137305 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | KISLYGZJXAFSJP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-16-25-33-45-46(64-45)34-26-18-14-21-28-36-50(57)61-40-43(63-52(59)38-30-20-13-11-12-17-24-32-42(55)31-23-10-8-5-2)41-62-51(58)37-29-22-15-19-27-35-47-48(65-47)39-49-54(66-49)53(60)44(56)6-3/h24,32,42-49,53-56,60H,4-23,25-31,33-41H2,1-3H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)CC)OC(=O)CCCCCCCC=CC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-16-25-33-45-46(64-45)34-26-18-14-21-28-36-50(57)61-40-43(63-52(59)38-30-20-13-11-12-17-24-32-42(55)31-23-10-8-5-2)41-62-51(58)37-29-22-15-19-27-35-47-48(65-47)39-49-54(66-49)53(60)44(56)6-3/h24,32,42-49,53-56,60H,4-23,25-31,33-41H2,1-3H3/b32-24?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:16][CH2:25][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:26][CH2:18][CH2:14][CH2:21][CH2:28][CH2:36][C:50](=[O:57])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:51]([CH2:37][CH2:29][CH2:22][CH2:15][CH2:19][CH2:27][CH2:35][CH:47]2[CH:48]([CH2:39][CH:49]3[CH:54]([CH:53]([CH:44]([CH2:6][CH3:3])[OH:56])[OH:60])[O:66]3)[O:65]2)=[O:58])[O:63][C:52]([CH2:38][CH2:30][CH2:20][CH2:13][CH2:11][CH2:12][CH2:17][CH:24]=[CH:32][CH:42]([CH2:31][CH2:23][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])=[O:59])[O:64]1 |
|