IngredientID 47817
[(1R,3R,4R,4As,8As)-3,4A,8,8-Tetramethyl-6'-Oxo-Spiro[Decalin-4,2'-Tetrahydropyran]-1-Yl] Acetate
C20H32O4
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Herb: 1Ingredient: 1Target: 13Links: 14
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 47817
- Core Entity Id
- 90828
- Source Entity Count
- 1
- Preferred Name
- [(1R,3R,4R,4As,8As)-3,4A,8,8-Tetramethyl-6'-Oxo-Spiro[Decalin-4,2'-Tetrahydropyran]-1-Yl] Acetate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C20H32O4
- Molecular Weight
- 336.5200
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 17.8571
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
[(1R,3R,4R,4As,8As)-3,4A,8,8-Tetramethyl-6'-Oxo-Spiro[Decalin-4,2'-Tetrahydropyran]-1-Yl] Acetate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[decalin-4,2'-tetrahydropyran]-1-yl] acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[decalin-4,2'-tetrahydropyran]-1-yl] acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] ethanoate
Role
alias
Source
TCMBank
Preferred
No
Name
[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] acetate
Role
alias
Source
TCMBank
Preferred
No
Name
acetic acid [(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-1-spiro[decalin-4,2'-tetrahydropyran]yl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
acetic acid [(1R,3R,4R,4aS,8aS)-6'-keto-3,4a,8,8-tetramethyl-spiro[decalin-4,2'-tetrahydropyran]-1-yl] ester
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] ethanoate[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] acetateacetic acid [(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-1-spiro[decalin-4,2'-tetrahydropyran]yl] esteracetic acid [(1R,3R,4R,4aS,8aS)-6'-keto-3,4a,8,8-tetramethyl-spiro[decalin-4,2'-tetrahydropyran]-1-yl] ester
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003098
Tcmbank
TCMBANKIN026390
Etcm Ingredient
[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[decalin-4,2'-tetrahydropyran]-1-yl] acetate
Itcmdb Generated
ITX-INGREDIENT-40B95C4DC5F6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
17.8570617317.857062
Suppress
0
Molecule Weight
336.52
Molecular Weight
336.230
Molecular Weight
336.52
Molecular Formula
C20H32O4
Fda Maximum Daily Dose (Fdamdd)
0.285
Quantitative Estimate Of Drug Likeness（Qed）
0.672