| Properties | Image |
|---|
| MNX_ID | MNXM1196524 |
 |
| reference | envipathM:...0724b883849a |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | UKWQLENWTXTPAT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-21-29-43(56)30-22-15-11-10-12-18-27-36-53(61)65-44(40-63-51(59)34-25-19-13-16-23-31-45(57)54(62)46(58)38-37-42(55)28-6-3)41-64-52(60)35-26-20-14-17-24-33-48-50(67-48)39-49-47(66-49)32-8-5-2/h21-22,29-30,37-38,42-50,55-58H,4-20,23-28,31-36,39-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)C(O)C=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-21-29-43(56)30-22-15-11-10-12-18-27-36-53(61)65-44(40-63-51(59)34-25-19-13-16-23-31-45(57)54(62)46(58)38-37-42(55)28-6-3)41-64-52(60)35-26-20-14-17-24-33-48-50(67-48)39-49-47(66-49)32-8-5-2/h21-22,29-30,37-38,42-50,55-58H,4-20,23-28,31-36,39-41H2,1-3H3/b29-21?,30-22?,38-37?/t42?,43?,44?,45?,46?,47?,48?,49?,50? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:21]=[CH:29][CH:43]([CH:30]=[CH:22][CH2:15][CH2:11][CH2:10][CH2:12][CH2:18][CH2:27][CH2:36][C:53](=[O:61])[O:65][CH:44]([CH2:40][O:63][C:51]([CH2:34][CH2:25][CH2:19][CH2:13][CH2:16][CH2:23][CH2:31][CH:45]([C:54]([CH:46]([CH:38]=[CH:37][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[OH:58])=[O:62])[OH:57])=[O:59])[CH2:41][O:64][C:52]([CH2:35][CH2:26][CH2:20][CH2:14][CH2:17][CH2:24][CH2:33][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:32][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:60])[OH:56] |
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