| Properties | Image |
|---|
| MNX_ID | MNXM1171944 |
 |
| reference | envipathM:...d6021dbddfa8 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | RMRLKFPZDVFYJS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-17-26-34-46-47(65-46)35-27-19-16-21-28-36-51(59)62-39-41(64-52(60)37-29-20-15-13-11-10-12-14-18-23-30-43(56)42(55)6-3)40-63-54(61)45(58)32-25-22-24-31-44(57)53-50(67-53)38-49-48(66-49)33-8-5-2/h12,14,17,23,26,30,41-43,45-50,53,55-56,58H,4-11,13,15-16,18-22,24-25,27-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(=O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-17-26-34-46-47(65-46)35-27-19-16-21-28-36-51(59)62-39-41(64-52(60)37-29-20-15-13-11-10-12-14-18-23-30-43(56)42(55)6-3)40-63-54(61)45(58)32-25-22-24-31-44(57)53-50(67-53)38-49-48(66-49)33-8-5-2/h12,14,17,23,26,30,41-43,45-50,53,55-56,58H,4-11,13,15-16,18-22,24-25,27-29,31-40H2,1-3H3/b14-12?,26-17?,30-23?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:26][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:27][CH2:19][CH2:16][CH2:21][CH2:28][CH2:36][C:51](=[O:59])[O:62][CH2:39][CH:41]([CH2:40][O:63][C:54]([CH:45]([CH2:32][CH2:25][CH2:22][CH2:24][CH2:31][C:44]([CH:53]2[CH:50]([CH2:38][CH:49]3[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:57])[OH:58])=[O:61])[O:64][C:52]([CH2:37][CH2:29][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:23]=[CH:30][CH:43]([CH:42]([CH2:6][CH3:3])[OH:55])[OH:56])=[O:60])[O:65]1 |
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