| Properties | Image |
|---|
| MNX_ID | MNXM167892 |
 |
| reference | metacycM:CPD-18430 |
| formula | C23H27O6 |
| global charge | -1 |
| mol weight | 399.463 |
| InChIKey | FVRDNLIUSWSBCT-UFZXEYFSSA-M |
| InChI | InChI=1S/C23H28O6/c1-15-10-11-21(2)16(12-15)28-18-13-17(22(21,3)23(18)14-27-23)29-20(26)9-7-5-4-6-8-19(24)25/h4-9,12,16-18H,10-11,13-14H2,1-3H3,(H,24,25)/p-1/b5-4+,8-6+,9-7-/t16-,17-,18-,21+,22-,23?/m1/s1 |
| SMILES | CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\C=C\C(=O)[O-])[C@@](C)(C34CO4)[C@@]2(C)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C23H28O6/c1-15-10-11-21(2)16(12-15)28-18-13-17(22(21,3)23(18)14-27-23)29-20(26)9-7-5-4-6-8-19(24)25/h4-9,12,16-18H,10-11,13-14H2,1-3H3,(H,24,25)/b5-4+,8-6+,9-7-/t16-,17-,18-,21+,22-,23?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15]1=[CH:12][C@@H:16]2[C@:21]([CH3:2])([CH2:11][CH2:10]1)[C@@:22]1([CH3:3])[C@H:17]([O:29][C:20](/[CH:9]=[CH:7]\[CH:5]=[CH:4]\[CH:6]=[CH:8]\[C:19](=[O:24])[OH:25])=[O:26])[CH2:13][C@H:18]([C:23]13[CH2:14][O:27]3)[O:28]2 |
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