| Properties | Image |
|---|
| MNX_ID | MNXM1184422 |
 |
| reference | envipathM:...02866cf503dd |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | AERNUSJZWQLOCB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-37-52(61)66-43(40-64-50(59)35-23-19-16-17-22-32-46-47(67-46)34-28-30-42(56)29-4-2)41-65-51(60)36-25-20-21-31-44(57)53(62)54(63)45(58)39-49-48(68-49)33-26-27-38-55/h7-8,10-11,28,30,42-49,53-58,62-63H,3-6,9,12-27,29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCC(O)C(O)C(O)C(O)CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-37-52(61)66-43(40-64-50(59)35-23-19-16-17-22-32-46-47(67-46)34-28-30-42(56)29-4-2)41-65-51(60)36-25-20-21-31-44(57)53(62)54(63)45(58)39-49-48(68-49)33-26-27-38-55/h7-8,10-11,28,30,42-49,53-58,62-63H,3-6,9,12-27,29,31-41H2,1-2H3/b8-7?,11-10?,30-28?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:24][CH2:37][C:52](=[O:61])[O:66][CH:43]([CH2:40][O:64][C:50]([CH2:35][CH2:23][CH2:19][CH2:16][CH2:17][CH2:22][CH2:32][CH:46]1[CH:47]([CH2:34][CH:28]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[O:67]1)=[O:59])[CH2:41][O:65][C:51]([CH2:36][CH2:25][CH2:20][CH2:21][CH2:31][CH:44]([CH:53]([CH:54]([CH:45]([CH2:39][CH:49]1[CH:48]([CH2:33][CH2:26][CH2:27][CH2:38][OH:55])[O:68]1)[OH:58])[OH:63])[OH:62])[OH:57])=[O:60] |
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