| Properties | Image |
|---|
| MNX_ID | MNXM1172639 |
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| reference | envipathM:...e578e65c70bb |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | RYPOUDDRJNAKLY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-21-31-43(56)32-22-13-8-7-9-17-28-38-53(62)65-44(42-64-52(61)37-27-19-11-15-24-34-48-49(66-48)35-25-16-12-20-29-39-55)41-63-51(60)36-26-18-10-14-23-33-45(57)47(59)40-50-54(67-50)46(58)30-4-2/h16,21-22,25,31-32,39,43-50,54,56-59H,3-15,17-20,23-24,26-30,33-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)CCC)COC(=O)CCCCCCCC1OC1CC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-21-31-43(56)32-22-13-8-7-9-17-28-38-53(62)65-44(42-64-52(61)37-27-19-11-15-24-34-48-49(66-48)35-25-16-12-20-29-39-55)41-63-51(60)36-26-18-10-14-23-33-45(57)47(59)40-50-54(67-50)46(58)30-4-2/h16,21-22,25,31-32,39,43-50,54,56-59H,3-15,17-20,23-24,26-30,33-38,40-42H2,1-2H3/b25-16?,31-21?,32-22?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:21]=[CH:31][CH:43]([CH:32]=[CH:22][CH2:13][CH2:8][CH2:7][CH2:9][CH2:17][CH2:28][CH2:38][C:53](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:18][CH2:10][CH2:14][CH2:23][CH2:33][CH:45]([CH:47]([CH2:40][CH:50]1[CH:54]([CH:46]([CH2:30][CH2:4][CH3:2])[OH:58])[O:67]1)[OH:59])[OH:57])=[O:60])[CH2:42][O:64][C:52]([CH2:37][CH2:27][CH2:19][CH2:11][CH2:15][CH2:24][CH2:34][CH:48]1[CH:49]([CH2:35][CH:25]=[CH:16][CH2:12][CH2:20][CH2:29][CH:39]=[O:55])[O:66]1)=[O:61])[OH:56] |
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