| Properties | Image |
|---|
| MNX_ID | MNXM1175640 |
 |
| reference | envipathM:...358cd40b18cb |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | KHSNPWYOQFFCBV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-15-25-34-46-54(66-46)52(61)43(56)31-24-20-28-36-50(59)63-40-42(64-51(60)37-27-17-14-12-13-16-22-30-41(55)29-21-11-8-5-2)39-62-49(58)35-26-19-18-23-32-44(57)53-48(67-53)38-47-45(65-47)33-9-6-3/h15,21-22,25,29-30,41-48,53-57H,4-14,16-20,23-24,26-28,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(=O)C(O)CCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-15-25-34-46-54(66-46)52(61)43(56)31-24-20-28-36-50(59)63-40-42(64-51(60)37-27-17-14-12-13-16-22-30-41(55)29-21-11-8-5-2)39-62-49(58)35-26-19-18-23-32-44(57)53-48(67-53)38-47-45(65-47)33-9-6-3/h15,21-22,25,29-30,41-48,53-57H,4-14,16-20,23-24,26-28,31-40H2,1-3H3/b25-15?,29-21?,30-22?/t41?,42?,43?,44?,45?,46?,47?,48?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:25][CH2:34][CH:46]1[CH:54]([C:52]([CH:43]([CH2:31][CH2:24][CH2:20][CH2:28][CH2:36][C:50](=[O:59])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:49]([CH2:35][CH2:26][CH2:19][CH2:18][CH2:23][CH2:32][CH:44]([CH:53]2[CH:48]([CH2:38][CH:47]3[CH:45]([CH2:33][CH2:9][CH2:6][CH3:3])[O:65]3)[O:67]2)[OH:57])=[O:58])[O:64][C:51]([CH2:37][CH2:27][CH2:17][CH2:14][CH2:12][CH2:13][CH2:16][CH:22]=[CH:30][CH:41]([CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:60])[OH:56])=[O:61])[O:66]1 |
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