| Properties | Image |
|---|
| MNX_ID | MNXM1191552 |
 |
| reference | envipathM:...d6949fbe89af |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | DUEJLTGIWXTOPM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-20-28-42(56)29-21-14-11-10-12-16-26-35-52(60)64-43(39-62-51(59)34-25-17-13-15-23-32-47-50(66-47)38-49-46(65-49)31-8-5-2)40-63-54(61)45(58)30-22-18-19-24-33-48-53(67-48)44(57)37-36-41(55)27-6-3/h20-21,28-29,36-37,41,43-50,53,55,57-58H,4-19,22-27,30-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CC(=O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-20-28-42(56)29-21-14-11-10-12-16-26-35-52(60)64-43(39-62-51(59)34-25-17-13-15-23-32-47-50(66-47)38-49-46(65-49)31-8-5-2)40-63-54(61)45(58)30-22-18-19-24-33-48-53(67-48)44(57)37-36-41(55)27-6-3/h20-21,28-29,36-37,41,43-50,53,55,57-58H,4-19,22-27,30-35,38-40H2,1-3H3/b28-20?,29-21?,37-36?/t41?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:20]=[CH:28][C:42]([CH:29]=[CH:21][CH2:14][CH2:11][CH2:10][CH2:12][CH2:16][CH2:26][CH2:35][C:52](=[O:60])[O:64][CH:43]([CH2:39][O:62][C:51]([CH2:34][CH2:25][CH2:17][CH2:13][CH2:15][CH2:23][CH2:32][CH:47]1[CH:50]([CH2:38][CH:49]2[CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)=[O:59])[CH2:40][O:63][C:54]([CH:45]([CH2:30][CH2:22][CH2:18][CH2:19][CH2:24][CH2:33][CH:48]1[CH:53]([CH:44]([CH:37]=[CH:36][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:57])[O:67]1)[OH:58])=[O:61])=[O:56] |
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