01
使君子
Shi Jun Zi / Fructus Quisqualis; Quisqualis Fructus
Shi Jun ZiFructus Quisqualis; Quisqualis Fructus
Ingredients
7alpha,21s,25-trihydroxy-3beta-acetoxy-21s,23r-epoxy-9(11)-en-dammarane
C32H52O6
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 7alpha,21s,25-trihydroxy-3beta-acetoxy-21s,23r-epoxy-9(11)-en-dammarane
- Molecular Formula
- C32H52O6
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OC1CCC2(C(C1(C)C)CC(C3(C2=CCC4C3(CCC4C5CC(OC5O)CC(C)(C)O)C)C)O)C
- Isomeric SMILES
- CC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CC([C@@]3(C2=CCC4C3(CCC4C5C[C@@H](O[C@@H]5O)CC(C)(C)O)C)C)O)C
- InChI
- InChI=1S/C32H52O6/c1-18(33)37-26-12-13-30(6)23-10-9-22-20(21-15-19(38-27(21)35)17-28(2,3)36)11-14-31(22,7)32(23,8)25(34)16-24(30)29(26,4)5/h10,19-22,24-27,34-36H,9,11-17H2,1-8H3/t19-,20?,21?,22?,24?,25?,26+,27+,30-,31?,32+/m1/s1
- Oral Bioavailability
- 10.940
- Drug Likeness
- 0.332
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
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