| Properties | Image |
|---|
| MNX_ID | MNXM1184333 |
 |
| reference | envipathM:...7a5809b14d96 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | UAHGJPQVXWXQES-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-28-35-51(61)66-42(39-64-49(59)33-26-22-20-24-30-43(56)52(62)53(63)44(57)37-36-41(55)29-6-3)40-65-50(60)34-27-23-21-25-31-45(58)54-48(68-54)38-47-46(67-47)32-8-5-2/h10-11,13-14,36-37,41-48,52-58,62-63H,4-9,12,15-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C(O)C(O)C(O)C=CC(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-28-35-51(61)66-42(39-64-49(59)33-26-22-20-24-30-43(56)52(62)53(63)44(57)37-36-41(55)29-6-3)40-65-50(60)34-27-23-21-25-31-45(58)54-48(68-54)38-47-46(67-47)32-8-5-2/h10-11,13-14,36-37,41-48,52-58,62-63H,4-9,12,15-35,38-40H2,1-3H3/b11-10?,14-13?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:28][CH2:35][C:51](=[O:61])[O:66][CH:42]([CH2:39][O:64][C:49]([CH2:33][CH2:26][CH2:22][CH2:20][CH2:24][CH2:30][CH:43]([CH:52]([CH:53]([CH:44]([CH:37]=[CH:36][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[OH:57])[OH:63])[OH:62])[OH:56])=[O:59])[CH2:40][O:65][C:50]([CH2:34][CH2:27][CH2:23][CH2:21][CH2:25][CH2:31][CH:45]([CH:54]1[CH:48]([CH2:38][CH:47]2[CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)[OH:58])=[O:60] |
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