| Properties | Image |
|---|
| MNX_ID | MNXM1194875 |
 |
| reference | envipathM:...702d3002b927 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | NPIGDZNTXYQWCU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-16-21-32-45(58)54(61)64-43(40-62-52(59)37-25-18-15-17-23-33-46-47(65-46)36-28-30-42(56)29-4-2)41-63-53(60)44(57)31-22-19-20-24-34-48-50(66-48)39-51-49(67-51)35-26-27-38-55/h7-8,10-11,28,30,42-43,45-51,55-56,58H,3-6,9,12-27,29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)C(=O)CCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-16-21-32-45(58)54(61)64-43(40-62-52(59)37-25-18-15-17-23-33-46-47(65-46)36-28-30-42(56)29-4-2)41-63-53(60)44(57)31-22-19-20-24-34-48-50(66-48)39-51-49(67-51)35-26-27-38-55/h7-8,10-11,28,30,42-43,45-51,55-56,58H,3-6,9,12-27,29,31-41H2,1-2H3/b8-7?,11-10?,30-28?/t42?,43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:16][CH2:21][CH2:32][CH:45]([C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:52]([CH2:37][CH2:25][CH2:18][CH2:15][CH2:17][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:36][CH:28]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([C:44]([CH2:31][CH2:22][CH2:19][CH2:20][CH2:24][CH2:34][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:35][CH2:26][CH2:27][CH2:38][OH:55])[O:67]2)[O:66]1)=[O:57])=[O:60])[OH:58] |
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