| Properties | Image |
|---|
| MNX_ID | MNXM1195983 |
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| reference | envipathM:...d95b4150385f |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | SSGPVEHILQNLSX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-8-9-10-12-19-29-42(56)30-20-15-18-25-37-52(60)64-43(39-62-51(59)36-24-14-11-13-22-33-46-47(65-46)35-26-31-41(55)27-5-2)40-63-54(61)45(58)32-21-16-17-23-34-48-49(66-48)38-50-53(67-50)44(57)28-6-3/h9-10,19,26,29,31,42-50,53,56-58H,4-8,11-18,20-25,27-28,30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-8-9-10-12-19-29-42(56)30-20-15-18-25-37-52(60)64-43(39-62-51(59)36-24-14-11-13-22-33-46-47(65-46)35-26-31-41(55)27-5-2)40-63-54(61)45(58)32-21-16-17-23-34-48-49(66-48)38-50-53(67-50)44(57)28-6-3/h9-10,19,26,29,31,42-50,53,56-58H,4-8,11-18,20-25,27-28,30,32-40H2,1-3H3/b10-9?,29-19?,31-26?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:12][CH:19]=[CH:29][CH:42]([CH2:30][CH2:20][CH2:15][CH2:18][CH2:25][CH2:37][C:52](=[O:60])[O:64][CH:43]([CH2:39][O:62][C:51]([CH2:36][CH2:24][CH2:14][CH2:11][CH2:13][CH2:22][CH2:33][CH:46]1[CH:47]([CH2:35][CH:26]=[CH:31][C:41]([CH2:27][CH2:5][CH3:2])=[O:55])[O:65]1)=[O:59])[CH2:40][O:63][C:54]([CH:45]([CH2:32][CH2:21][CH2:16][CH2:17][CH2:23][CH2:34][CH:48]1[CH:49]([CH2:38][CH:50]2[CH:53]([CH:44]([CH2:28][CH2:6][CH3:3])[OH:57])[O:67]2)[O:66]1)[OH:58])=[O:61])[OH:56] |
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