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Ingredients

[(1s,2r,4s,4ar,5r,8ar)-4-acetoxy-1,2-dimethyl-1-[2-(5-oxo-2h-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (e)-2-methylbut-2-enoate

C27H38O7

Entity Type
Ingredients
Relation Groups
2
Relation Preview
4

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
[(1s,2r,4s,4ar,5r,8ar)-4-acetoxy-1,2-dimethyl-1-[2-(5-oxo-2h-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (e)-2-methylbut-2-enoate
Molecular Formula
C27H38O7
Molecular Weight
No data
Canonical SMILES
CC=C(C)C(=O)OCC12C(CCCC13CO3)C(C(CC2OC(=O)C)C)(C)CCC4=CC(=O)OC4
Isomeric SMILES
C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)CCC4=CC(=O)OC4
InChI
InChI=1S/C27H38O7/c1-6-17(2)24(30)32-16-27-21(8-7-10-26(27)15-33-26)25(5,11-9-20-13-23(29)31-14-20)18(3)12-22(27)34-19(4)28/h6,13,18,21-22H,7-12,14-16H2,1-5H3/b17-6+/t18-,21-,22+,25+,26+,27+/m1/s1
Oral Bioavailability
46.265
Drug Likeness
0.235
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
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient1 Herbs