| Properties | Image |
|---|
| MNX_ID | MNXM1192214 |
 |
| reference | envipathM:...4a683bbdd6ce |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | PSFHHEUOTZAQOL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-13-23-31-46-47(65-46)32-25-19-18-22-30-45(58)54(61)63-41-44(64-53(60)35-27-16-11-9-10-14-21-29-42(56)28-20-8-6-4-2)40-62-52(59)34-26-17-12-15-24-33-48-50(66-48)38-51-49(67-51)37-36-43(57)39-55/h13,20-21,23,28-29,39,42-51,56-58H,3-12,14-19,22,24-27,30-38,40-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)C=O)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-13-23-31-46-47(65-46)32-25-19-18-22-30-45(58)54(61)63-41-44(64-53(60)35-27-16-11-9-10-14-21-29-42(56)28-20-8-6-4-2)40-62-52(59)34-26-17-12-15-24-33-48-50(66-48)38-51-49(67-51)37-36-43(57)39-55/h13,20-21,23,28-29,39,42-51,56-58H,3-12,14-19,22,24-27,30-38,40-41H2,1-2H3/b23-13?,28-20?,29-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:23][CH2:31][CH:46]1[CH:47]([CH2:32][CH2:25][CH2:19][CH2:18][CH2:22][CH2:30][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:44]([CH2:40][O:62][C:52]([CH2:34][CH2:26][CH2:17][CH2:12][CH2:15][CH2:24][CH2:33][CH:48]2[CH:50]([CH2:38][CH:51]3[CH:49]([CH2:37][CH2:36][CH:43]([CH:39]=[O:55])[OH:57])[O:67]3)[O:66]2)=[O:59])[O:64][C:53]([CH2:35][CH2:27][CH2:16][CH2:11][CH2:9][CH2:10][CH2:14][CH:21]=[CH:29][CH:42]([CH:28]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:60])[OH:58])[O:65]1 |
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