| Properties | Image |
|---|
| MNX_ID | MNXM1192829 |
 |
| reference | envipathM:...07b99baf0977 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | MYNBXKIHSZYZJS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-15-22-30-42(55)31-23-18-20-29-38-52(60)65-43(40-63-50(58)36-27-17-14-16-26-35-47-49(67-47)39-48-46(66-48)34-9-6-3)41-64-51(59)37-28-21-19-25-33-45(57)54(62)53(61)44(56)32-24-11-8-5-2/h12-13,22,24,30,32,42-49,53,55-57,61H,4-11,14-21,23,25-29,31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCC(O)C(=O)C(O)C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-15-22-30-42(55)31-23-18-20-29-38-52(60)65-43(40-63-50(58)36-27-17-14-16-26-35-47-49(67-47)39-48-46(66-48)34-9-6-3)41-64-51(59)37-28-21-19-25-33-45(57)54(62)53(61)44(56)32-24-11-8-5-2/h12-13,22,24,30,32,42-49,53,55-57,61H,4-11,14-21,23,25-29,31,33-41H2,1-3H3/b13-12?,30-22?,32-24?/t42?,43?,44?,45?,46?,47?,48?,49?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:15][CH:22]=[CH:30][CH:42]([CH2:31][CH2:23][CH2:18][CH2:20][CH2:29][CH2:38][C:52](=[O:60])[O:65][CH:43]([CH2:40][O:63][C:50]([CH2:36][CH2:27][CH2:17][CH2:14][CH2:16][CH2:26][CH2:35][CH:47]1[CH:49]([CH2:39][CH:48]2[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:58])[CH2:41][O:64][C:51]([CH2:37][CH2:28][CH2:21][CH2:19][CH2:25][CH2:33][CH:45]([C:54]([CH:53]([CH:44]([CH:32]=[CH:24][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[OH:61])=[O:62])[OH:57])=[O:59])[OH:55] |
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