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(Q82006708)
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English
(5r)-5-hydroxy-4-{2-[(2r,4ar,8ar)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}furan-2(5h)-one
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
clerodane diterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
318.21949481999997
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
16alpha-Hydroxycleroda-3,13-dien-15,16-olide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R)-3-[2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CCCC2C1(C)CCC(C)C2(C)CCC1=CC(=O)OC1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CCC[C@@H]2C(C)(CCC3=CC(=O)O[C@H]3O)[C@H](C)CC[C@@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H30O3/c1-13-6-5-7-16-19(13,3)10-8-14(2)20(16,4)11-9-15-12-17(21)23-18(15)22/h6,12,14,16,18,22H,5,7-11H2,1-4H3/t14-,16+,18-,19+,20?/m1/s1
0 references
InChIKey
LVSCWEDTMWAASP-AQEMGIOASA-N
0 references
CAS Registry Number
984-65-6
0 references
PubChem CID
124820
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LVSCWEDTMWAASP-AQEMGIOASA-N
UniChem compound ID
59157232
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10276279
1 reference
matched by identifier from
InChIKey
InChIKey
LVSCWEDTMWAASP-AQEMGIOASA-N
DSSTOX compound identifier
DTXCID60227599
0 references
NSC number
83965
0 references
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