| Properties | Image |
|---|
| MNX_ID | MNXM1188061 |
 |
| reference | envipathM:...fbb916d00314 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | PLSVCAGEDFQBOX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-8-20-30-42(56)31-21-14-10-9-11-17-26-38-50(60)64-43(39-62-48(58)36-24-18-12-15-22-33-45-46(65-45)35-27-32-41(55)28-5-2)40-63-49(59)37-25-19-13-16-23-34-47-53(66-47)51(61)54-52(67-54)44(57)29-6-3/h20-21,27,30-32,41-47,52-57H,4-19,22-26,28-29,33-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1C(=O)C1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-8-20-30-42(56)31-21-14-10-9-11-17-26-38-50(60)64-43(39-62-48(58)36-24-18-12-15-22-33-45-46(65-45)35-27-32-41(55)28-5-2)40-63-49(59)37-25-19-13-16-23-34-47-53(66-47)51(61)54-52(67-54)44(57)29-6-3/h20-21,27,30-32,41-47,52-57H,4-19,22-26,28-29,33-40H2,1-3H3/b30-20?,31-21?,32-27?/t41?,42?,43?,44?,45?,46?,47?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:20]=[CH:30][CH:42]([CH:31]=[CH:21][CH2:14][CH2:10][CH2:9][CH2:11][CH2:17][CH2:26][CH2:38][C:50](=[O:60])[O:64][CH:43]([CH2:39][O:62][C:48]([CH2:36][CH2:24][CH2:18][CH2:12][CH2:15][CH2:22][CH2:33][CH:45]1[CH:46]([CH2:35][CH:27]=[CH:32][CH:41]([CH2:28][CH2:5][CH3:2])[OH:55])[O:65]1)=[O:58])[CH2:40][O:63][C:49]([CH2:37][CH2:25][CH2:19][CH2:13][CH2:16][CH2:23][CH2:34][CH:47]1[CH:53]([C:51]([CH:54]2[CH:52]([CH:44]([CH2:29][CH2:6][CH3:3])[OH:57])[O:67]2)=[O:61])[O:66]1)=[O:59])[OH:56] |
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