| Properties | Image |
|---|
| MNX_ID | MNXM1172429 |
 |
| reference | envipathM:...f5a4f3010644 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | PFPGBQUCGVPDST-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-10-11-12-13-14-15-16-17-19-24-31-45(58)54(61)64-42(39-62-51(59)35-28-21-18-20-27-34-48-52(67-48)43(56)37-36-41(55)29-6-3)40-63-53(60)44(57)30-25-22-23-26-33-47-50(66-47)38-49-46(65-49)32-8-5-2/h10-11,13-14,36-37,41-42,44-50,52,55,57-58H,4-9,12,15-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(=O)C=CC(O)CCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-10-11-12-13-14-15-16-17-19-24-31-45(58)54(61)64-42(39-62-51(59)35-28-21-18-20-27-34-48-52(67-48)43(56)37-36-41(55)29-6-3)40-63-53(60)44(57)30-25-22-23-26-33-47-50(66-47)38-49-46(65-49)32-8-5-2/h10-11,13-14,36-37,41-42,44-50,52,55,57-58H,4-9,12,15-35,38-40H2,1-3H3/b11-10?,14-13?,37-36?/t41?,42?,44?,45?,46?,47?,48?,49?,50?,52? |
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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][CH2:19][CH2:24][CH2:31][CH:45]([C:54](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:51]([CH2:35][CH2:28][CH2:21][CH2:18][CH2:20][CH2:27][CH2:34][CH:48]1[CH:52]([C:43]([CH:37]=[CH:36][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])=[O:56])[O:67]1)=[O:59])[CH2:40][O:63][C:53]([CH:44]([CH2:30][CH2:25][CH2:22][CH2:23][CH2:26][CH2:33][CH:47]1[CH:50]([CH2:38][CH:49]2[CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)[OH:57])=[O:60])[OH:58] |
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