| Properties | Image |
|---|
| MNX_ID | MNXM1190702 |
 |
| reference | envipathM:...c12f4c96f82c |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | QOWZEPJEZSDQHG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-33-46-49(65-46)38-50-47(66-50)34-23-16-13-17-24-36-51(59)62-39-43(64-54(61)45(58)32-22-15-12-10-8-9-11-14-20-29-41(55)27-5-2)40-63-52(60)37-25-19-18-21-31-44(57)53-48(67-53)35-26-30-42(56)28-6-3/h9,11,20,26,29-30,41-43,45-50,53,55-56,58H,4-8,10,12-19,21-25,27-28,31-40H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(=O)C1OC1CC=CC(O)CCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-33-46-49(65-46)38-50-47(66-50)34-23-16-13-17-24-36-51(59)62-39-43(64-54(61)45(58)32-22-15-12-10-8-9-11-14-20-29-41(55)27-5-2)40-63-52(60)37-25-19-18-21-31-44(57)53-48(67-53)35-26-30-42(56)28-6-3/h9,11,20,26,29-30,41-43,45-50,53,55-56,58H,4-8,10,12-19,21-25,27-28,31-40H2,1-3H3/b11-9?,29-20?,30-26?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:33][CH:46]1[CH:49]([CH2:38][CH:50]2[CH:47]([CH2:34][CH2:23][CH2:16][CH2:13][CH2:17][CH2:24][CH2:36][C:51](=[O:59])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:52]([CH2:37][CH2:25][CH2:19][CH2:18][CH2:21][CH2:31][C:44]([CH:53]3[CH:48]([CH2:35][CH:26]=[CH:30][CH:42]([CH2:28][CH2:6][CH3:3])[OH:56])[O:67]3)=[O:57])=[O:60])[O:64][C:54]([CH:45]([CH2:32][CH2:22][CH2:15][CH2:12][CH2:10][CH2:8][CH:9]=[CH:11][CH2:14][CH:20]=[CH:29][CH:41]([CH2:27][CH2:5][CH3:2])[OH:55])[OH:58])=[O:61])[O:66]2)[O:65]1 |
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