| Properties | Image |
|---|
| MNX_ID | MNXM1137894 |
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| reference | envipathM:...c9fb814206ab |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | CSLVLIHBMUURQZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-8-9-10-13-20-29-41(55)30-21-18-19-26-35-53(61)64-44(39-62-51(59)33-24-16-11-14-22-31-46-48(65-46)37-43(57)36-42(56)27-5-2)40-63-52(60)34-25-17-12-15-23-32-47-49(66-47)38-50-54(67-50)45(58)28-6-3/h9-10,20,29,41,43-50,54-55,57-58H,4-8,11-19,21-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)CC(=O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-8-9-10-13-20-29-41(55)30-21-18-19-26-35-53(61)64-44(39-62-51(59)33-24-16-11-14-22-31-46-48(65-46)37-43(57)36-42(56)27-5-2)40-63-52(60)34-25-17-12-15-23-32-47-49(66-47)38-50-54(67-50)45(58)28-6-3/h9-10,20,29,41,43-50,54-55,57-58H,4-8,11-19,21-28,30-40H2,1-3H3/b10-9?,29-20?/t41?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:13][CH:20]=[CH:29][CH:41]([CH2:30][CH2:21][CH2:18][CH2:19][CH2:26][CH2:35][C:53](=[O:61])[O:64][CH:44]([CH2:39][O:62][C:51]([CH2:33][CH2:24][CH2:16][CH2:11][CH2:14][CH2:22][CH2:31][CH:46]1[CH:48]([CH2:37][CH:43]([CH2:36][C:42]([CH2:27][CH2:5][CH3:2])=[O:56])[OH:57])[O:65]1)=[O:59])[CH2:40][O:63][C:52]([CH2:34][CH2:25][CH2:17][CH2:12][CH2:15][CH2:23][CH2:32][CH:47]1[CH:49]([CH2:38][CH:50]2[CH:54]([CH:45]([CH2:28][CH2:6][CH3:3])[OH:58])[O:67]2)[O:66]1)=[O:60])[OH:55] |
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