| Properties | Image |
|---|
| MNX_ID | MNXM101872 |
 |
| reference | chebi:69745 |
| formula | C39H54O7 |
| global charge | 0 |
| mol weight | 634.854 |
| InChIKey | BZORLJPADUHVJE-QWBBESJSSA-N |
| InChI | InChI=1S/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1 |
| SMILES | C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C39H54O7/c1-23-16-19-39(33(43)44)21-20-36(5)26(31(39)38(23,7)45)13-14-29-35(4)22-27(41)32(34(2,3)28(35)17-18-37(29,36)6)46-30(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,23,27-29,31-32,40-41,45H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,27-,28+,29-,31-,32+,35+,36-,37-,38-,39+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:23]1[CH2:16][CH2:19][C@:39]2([C:33](=[O:43])[OH:44])[CH2:21][CH2:20][C@:36]3([CH3:5])[C:26](=[CH:13][CH2:14][C@@H:29]4[C@@:35]5([CH3:4])[CH2:22][C@@H:27]([OH:41])[C@H:32]([O:46][C:30](/[CH:15]=[CH:10]/[C:24]6=[CH:9][CH:12]=[C:25]([OH:40])[CH:11]=[CH:8]6)=[O:42])[C:34]([CH3:2])([CH3:3])[C@@H:28]5[CH2:17][CH2:18][C@:37]43[CH3:6])[C@@H:31]2[C@:38]1([CH3:7])[OH:45] |
|