| Properties | Image |
|---|
| MNX_ID | MNXM1192606 |
 |
| reference | envipathM:...c7903dc633b8 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | MTKBDXSKBIQREY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-20-29-42(56)30-21-13-9-8-10-16-27-37-52(62)66-43(40-64-51(61)36-26-17-11-14-22-31-44(57)47(60)39-50-48(67-50)34-6-4-2)41-65-54(63)46(59)33-24-19-23-32-45(58)53-49(68-53)35-25-15-12-18-28-38-55/h15,20-21,25,29-30,42-50,53,55-60H,3-14,16-19,22-24,26-28,31-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-20-29-42(56)30-21-13-9-8-10-16-27-37-52(62)66-43(40-64-51(61)36-26-17-11-14-22-31-44(57)47(60)39-50-48(67-50)34-6-4-2)41-65-54(63)46(59)33-24-19-23-32-45(58)53-49(68-53)35-25-15-12-18-28-38-55/h15,20-21,25,29-30,42-50,53,55-60H,3-14,16-19,22-24,26-28,31-41H2,1-2H3/b25-15?,29-20?,30-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:29][CH:42]([CH:30]=[CH:21][CH2:13][CH2:9][CH2:8][CH2:10][CH2:16][CH2:27][CH2:37][C:52](=[O:62])[O:66][CH:43]([CH2:40][O:64][C:51]([CH2:36][CH2:26][CH2:17][CH2:11][CH2:14][CH2:22][CH2:31][CH:44]([CH:47]([CH2:39][CH:50]1[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:60])[OH:57])=[O:61])[CH2:41][O:65][C:54]([CH:46]([CH2:33][CH2:24][CH2:19][CH2:23][CH2:32][CH:45]([CH:53]1[CH:49]([CH2:35][CH:25]=[CH:15][CH2:12][CH2:18][CH2:28][CH2:38][OH:55])[O:68]1)[OH:58])[OH:59])=[O:63])[OH:56] |
|