| Properties | Image |
|---|
| MNX_ID | MNXM1247503 |
 |
| reference | envipathM:...6fce6864f37f |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XMBKLEYHZKIADT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-13-23-32-46-47(65-46)33-24-18-16-22-30-45(58)54(61)63-40-43(64-52(60)35-26-15-12-10-11-14-20-28-42(56)37-36-41(55)27-6-3)39-62-51(59)34-25-19-17-21-29-44(57)53-50(67-53)38-49-48(66-49)31-8-5-2/h13,20,23,28,36-37,41-43,45-50,53,55-56,58H,4-12,14-19,21-22,24-27,29-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCC(=O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-13-23-32-46-47(65-46)33-24-18-16-22-30-45(58)54(61)63-40-43(64-52(60)35-26-15-12-10-11-14-20-28-42(56)37-36-41(55)27-6-3)39-62-51(59)34-25-19-17-21-29-44(57)53-50(67-53)38-49-48(66-49)31-8-5-2/h13,20,23,28,36-37,41-43,45-50,53,55-56,58H,4-12,14-19,21-22,24-27,29-35,38-40H2,1-3H3/b23-13?,28-20?,37-36?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:13]=[CH:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:24][CH2:18][CH2:16][CH2:22][CH2:30][CH:45]([C:54](=[O:61])[O:63][CH2:40][CH:43]([CH2:39][O:62][C:51]([CH2:34][CH2:25][CH2:19][CH2:17][CH2:21][CH2:29][C:44]([CH:53]2[CH:50]([CH2:38][CH:49]3[CH:48]([CH2:31][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:57])=[O:59])[O:64][C:52]([CH2:35][CH2:26][CH2:15][CH2:12][CH2:10][CH2:11][CH2:14][CH:20]=[CH:28][CH:42]([CH:37]=[CH:36][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:56])=[O:60])[OH:58])[O:65]1 |
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