| Properties | Image |
|---|
| MNX_ID | MNXM1368766 |
 |
| reference | seedM:cpd14688 |
| formula | C82H132O14 |
| global charge | 0 |
| mol weight | 1341.944 |
| InChIKey | VVKAQZYKDOWNFD-FMZQEZSSSA-N |
| InChI | InChI=1S/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79?,80?/m1/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](OC3O[C@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](OC2O[C@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]2O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79?,80?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:2]1=[C:3](/[CH:4]=[CH:5]/[C:6]([CH3:7])=[CH:8]/[CH:9]=[CH:10]/[C:11]([CH3:12])=[CH:13]\[CH:14]=[CH:15]/[CH:16]=[C:17]([CH3:18])\[CH:19]=[CH:20]/[CH:21]=[C:22]([CH3:23])\[CH:24]=[CH:25]/[C:26]2=[C:27]([CH3:28])[CH2:29][C@H:30]([CH2:31][CH:32]3[CH2:33][C@H:34]([CH2:35][CH2:36][C:37](=[CH2:38])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH:50]([CH3:51])[CH3:52])[C@H:53]([CH3:54])[C@@H:55]([CH3:56])[C@@H:57]3[CH3:58])[CH2:59][C:60]2([CH3:61])[CH3:62])[C:63]([CH3:64])([CH3:65])[CH2:66][C@@H:67]([CH2:68][CH:69]2[CH2:70][C@@H:71]([CH2:72][CH2:73][C:74](=[CH2:75])[CH2:76][CH2:77][CH2:78][CH2:79][CH2:80][CH2:81][CH2:82][O:83][O:84][O:85][O:86][O:87]([OH:88])[OH:89])[O@:90]([OH:91])[O@@:92]([OH:93])[O@@:94]2[OH:95])[O:96]1 |
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