| Properties | Image |
|---|
| MNX_ID | MNXM101660 |
 |
| reference | chebi:65662 |
| formula | C39H54O6 |
| global charge | 0 |
| mol weight | 618.855 |
| InChIKey | LCHMSLHVXVQJDG-GLDUGTPFSA-N |
| InChI | InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30+,32+,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)C[C@@H](OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30+,32+,33-,36-,37+,38+,39-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:23]([CH3:2])[C@@H:26]1[CH2:16][CH2:19][C@:39]2([C:34](=[O:43])[OH:44])[CH2:21][CH2:20][C@:37]3([CH3:6])[C@H:27]([CH2:13][CH2:14][C@@H:30]4[C@@:36]5([CH3:5])[CH2:22][C@@H:28]([O:45][C:31](/[CH:15]=[CH:10]/[C:24]6=[CH:9][CH:12]=[C:25]([OH:40])[CH:11]=[CH:8]6)=[O:41])[C@H:33]([OH:42])[C:35]([CH3:3])([CH3:4])[C@@H:29]5[CH2:17][CH2:18][C@:38]43[CH3:7])[C@@H:32]12 |
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