| Properties | Image |
|---|
| MNX_ID | MNXM1191132 |
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| reference | envipathM:...c1472d584578 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | FXVBPXLEYVMAFD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-13-23-33-46-47(65-46)34-25-19-18-22-31-44(57)53(60)63-41-43(64-54(61)45(58)32-21-15-11-9-7-8-10-14-20-30-42(56)29-4-2)40-62-52(59)37-26-17-12-16-24-35-48-50(66-48)39-51-49(67-51)36-27-28-38-55/h8,10,13,20,23,30,42-44,46-51,55-57H,3-7,9,11-12,14-19,21-22,24-29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)C(=O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-13-23-33-46-47(65-46)34-25-19-18-22-31-44(57)53(60)63-41-43(64-54(61)45(58)32-21-15-11-9-7-8-10-14-20-30-42(56)29-4-2)40-62-52(59)37-26-17-12-16-24-35-48-50(66-48)39-51-49(67-51)36-27-28-38-55/h8,10,13,20,23,30,42-44,46-51,55-57H,3-7,9,11-12,14-19,21-22,24-29,31-41H2,1-2H3/b10-8?,23-13?,30-20?/t42?,43?,44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:13]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:25][CH2:19][CH2:18][CH2:22][CH2:31][CH:44]([C:53](=[O:60])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:52]([CH2:37][CH2:26][CH2:17][CH2:12][CH2:16][CH2:24][CH2:35][CH:48]2[CH:50]([CH2:39][CH:51]3[CH:49]([CH2:36][CH2:27][CH2:28][CH2:38][OH:55])[O:67]3)[O:66]2)=[O:59])[O:64][C:54]([C:45]([CH2:32][CH2:21][CH2:15][CH2:11][CH2:9][CH2:7][CH:8]=[CH:10][CH2:14][CH:20]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])=[O:58])=[O:61])[OH:57])[O:65]1 |
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