| Properties | Image |
|---|
| MNX_ID | MNXM1183129 |
 |
| reference | envipathM:...687817ae171f |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | HZEQUOGDMFQDSX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-16-23-30-43(55)44(56)31-25-21-29-38-53(61)65-42(40-63-51(59)36-27-19-14-17-24-33-46(58)54(62)45(57)32-22-11-8-5-2)41-64-52(60)37-28-20-15-18-26-35-48-50(67-48)39-49-47(66-49)34-9-6-3/h12-13,22-23,30,32,42-43,45-50,54-55,57-58,62H,4-11,14-21,24-29,31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(=O)CCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-16-23-30-43(55)44(56)31-25-21-29-38-53(61)65-42(40-63-51(59)36-27-19-14-17-24-33-46(58)54(62)45(57)32-22-11-8-5-2)41-64-52(60)37-28-20-15-18-26-35-48-50(67-48)39-49-47(66-49)34-9-6-3/h12-13,22-23,30,32,42-43,45-50,54-55,57-58,62H,4-11,14-21,24-29,31,33-41H2,1-3H3/b13-12?,30-23?,32-22?/t42?,43?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:23]=[CH:30][CH:43]([C:44]([CH2:31][CH2:25][CH2:21][CH2:29][CH2:38][C:53](=[O:61])[O:65][CH:42]([CH2:40][O:63][C:51]([CH2:36][CH2:27][CH2:19][CH2:14][CH2:17][CH2:24][CH2:33][CH:46]([CH:54]([CH:45]([CH:32]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[OH:62])[OH:58])=[O:59])[CH2:41][O:64][C:52]([CH2:37][CH2:28][CH2:20][CH2:15][CH2:18][CH2:26][CH2:35][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:60])=[O:56])[OH:55] |
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