Compound Summary
Compound Information
Handelin
Compound Name: | Handelin |
Compound CID: | 90474153 |
Synonyms: | Handelin |
Iupac Name: | [(1'R,2'R,3R,3aR,4S,5'S,6R,6aR,9'S,9aR,9bR,10'S,11'R)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate |
InChI: | InChI=1S/C32H40O8/c1-15-7-8-19-21(15)24-22(20(38-17(3)33)13-29(19,5)36)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-30(31,6)37)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,28+,29+,30+,31-,32-/m0/s1 |
InChIKey: | SZQWAXGDCUONOB-QKARTHDOSA-N |
Canonical Smiles: | CC1=CCC2C1C3C(C(CC2(C)O)OC(=O)C)C4(CC56C=CC4(C5C7C(CCC6(C)O)C(=C)C(=O)O7)C)C(=O)O3 |
Isomeric Smiles: | CC1=CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@H](C[C@@]2(C)O)OC(=O)C)[C@@]4(C[C@@]56C=C[C@@]4([C@@H]5[C@@H]7[C@@H](CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3 |
Molecular Weight: | 552.7 |
Molecular Formula: | C32H40O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Handelin
Molecular Weight: | 552.7 |
Molecular Formula: | C32H40O8 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 40 |
Complexity: | 1320 |
Synonyms
Handelin
Experimental Data
Handelin
Experimental Data Visualization
Handelin
Statistics Data
Handelin
Statistics Data Visualization
Handelin
