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name Structure Reference Source Properties Activities Metabolism

(3aR,4aS,6R,7aR,8R,9aS)-3,5-dimethylidene-2-oxo-4a-{[(trichloroacetamido)carbonyl]oxy}-hexahydro-3aH-spiro[azuleno[6,5-b]furan-8,2'-oxirane]-6-yl 2-methylpropanoate

AlkaPlorer ID: AK236524

Synonym: None

IUPAC Name: [(3aS,5R,5aR,7R,8aS,9aR)-1,8-dimethylidene-2-oxo-8a-[(2,2,2-trichloroacetyl)carbamoyloxy]spiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl] 2-methylpropanoate

Structure

SMILES: C=C1C(=O)O[C@H]2C[C@]3(CO3)[C@@H]3C[C@@H](OC(=O)C(C)C)C(=C)[C@]3(OC(=O)N=C(O)C(Cl)(Cl)Cl)C[C@H]12

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InChI: InChI=1S/C22H24Cl3NO8/c1-9(2)16(27)32-13-5-15-20(8-31-20)7-14-12(10(3)17(28)33-14)6-21(15,11(13)4)34-19(30)26-18(29)22(23,24)25/h9,12-15H,3-8H2,1-2H3,(H,26,29,30)/t12-,13-,14+,15+,20+,21-/m1/s1

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InChIKey: SQVZPRNZOHXNSI-RUTWPRJZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Arctotis hirsuta Arctotis Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 536.7920000000001

TPSA？: 124.02

MolLogP？: 3.993000000000003

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information