| Properties | Image |
|---|
| MNX_ID | MNXM1194886 |
 |
| reference | envipathM:...7e3685a79f37 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | HHKGTKHEPMQNCS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-8-11-22-33-45(57)46(58)34-23-12-9-14-25-36-51(61)65-40-44(67-53(63)38-27-17-16-19-31-43(56)32-21-18-20-30-42(55)28-5-2)41-66-52(62)37-26-15-10-13-24-35-49-50(68-49)39-48(60)54(64)47(59)29-6-3/h11,20-22,30,32,42-50,54-60,64H,4-10,12-19,23-29,31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC)OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-8-11-22-33-45(57)46(58)34-23-12-9-14-25-36-51(61)65-40-44(67-53(63)38-27-17-16-19-31-43(56)32-21-18-20-30-42(55)28-5-2)41-66-52(62)37-26-15-10-13-24-35-49-50(68-49)39-48(60)54(64)47(59)29-6-3/h11,20-22,30,32,42-50,54-60,64H,4-10,12-19,23-29,31,33-41H2,1-3H3/b22-11?,30-20?,32-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:11]=[CH:22][CH2:33][CH:45]([CH:46]([CH2:34][CH2:23][CH2:12][CH2:9][CH2:14][CH2:25][CH2:36][C:51](=[O:61])[O:65][CH2:40][CH:44]([CH2:41][O:66][C:52]([CH2:37][CH2:26][CH2:15][CH2:10][CH2:13][CH2:24][CH2:35][CH:49]1[CH:50]([CH2:39][CH:48]([CH:54]([CH:47]([CH2:29][CH2:6][CH3:3])[OH:59])[OH:64])[OH:60])[O:68]1)=[O:62])[O:67][C:53]([CH2:38][CH2:27][CH2:17][CH2:16][CH2:19][CH2:31][CH:43]([CH:32]=[CH:21][CH2:18][CH:20]=[CH:30][CH:42]([CH2:28][CH2:5][CH3:2])[OH:55])[OH:56])=[O:63])[OH:58])[OH:57] |
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