| Properties | Image |
|---|
| MNX_ID | MNXM1187172 |
 |
| reference | envipathM:...59b654cb0d98 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | MVOCWVHGJJTGQG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-17-25-34-44-45(65-44)35-27-22-24-32-43(56)50(59)54(61)63-40-42(64-49(58)38-29-20-15-13-11-10-12-14-18-23-31-41(55)30-6-3)39-62-48(57)37-28-21-16-19-26-36-47-53(67-47)51(60)52-46(66-52)33-8-5-2/h12,14,17,23,25,31,41-47,50,52-53,55-56,59H,4-11,13,15-16,18-22,24,26-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCC(O)C(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(=O)C1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-17-25-34-44-45(65-44)35-27-22-24-32-43(56)50(59)54(61)63-40-42(64-49(58)38-29-20-15-13-11-10-12-14-18-23-31-41(55)30-6-3)39-62-48(57)37-28-21-16-19-26-36-47-53(67-47)51(60)52-46(66-52)33-8-5-2/h12,14,17,23,25,31,41-47,50,52-53,55-56,59H,4-11,13,15-16,18-22,24,26-30,32-40H2,1-3H3/b14-12?,25-17?,31-23?/t41?,42?,43?,44?,45?,46?,47?,50?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:25][CH2:34][CH:44]1[CH:45]([CH2:35][CH2:27][CH2:22][CH2:24][CH2:32][CH:43]([CH:50]([C:54](=[O:61])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:48]([CH2:37][CH2:28][CH2:21][CH2:16][CH2:19][CH2:26][CH2:36][CH:47]2[CH:53]([C:51]([CH:52]3[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]3)=[O:60])[O:67]2)=[O:57])[O:64][C:49]([CH2:38][CH2:29][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:23]=[CH:31][CH:41]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:58])[OH:59])[OH:56])[O:65]1 |
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