| Properties | Image |
|---|
| MNX_ID | MNXM101920 |
 |
| reference | chebi:70671 |
| formula | C39H54O6 |
| global charge | 0 |
| mol weight | 618.855 |
| InChIKey | MNUNUJQYFJZRHQ-VZLLCJDWSA-N |
| InChI | InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/C6=CC=C(O)C(O)=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:23]([CH3:2])[C@@H:25]1[CH2:14][CH2:19][C@:39]2([C:34](=[O:43])[OH:44])[CH2:21][CH2:20][C@:37]3([CH3:6])[C@H:26]([CH2:10][CH2:12][C@@H:30]4[C@@:36]5([CH3:5])[CH2:17][CH2:16][C@H:31]([O:45][C:32](/[CH:13]=[CH:9]/[C:24]6=[CH:22][C:28]([OH:41])=[C:27]([OH:40])[CH:11]=[CH:8]6)=[O:42])[C:35]([CH3:3])([CH3:4])[C@@H:29]5[CH2:15][CH2:18][C@:38]43[CH3:7])[C@@H:33]12 |
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