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(Q105158025)
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English
16alpha-Hydroxycleroda-3,13-dien-15,16-olide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-2-hydroxy-2H-furan-5-one
1 reference
based on heuristic
inferred from SMILES
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(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
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
0 references
canonical SMILES
O=C1OC(O)C(=C1)CCC2(C)C(C)CCC3(C(=CCCC32)C)C
0 references
isomeric SMILES
CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3O)[C@H](C)CC[C@@]12C
0 references
found in taxon
Hubera pendula
2 references
stated in
Cytotoxic constituents of Polyalthia longifolia var. pendula
stated in
Clerodane type diterpene as a novel antifungal agent from Polyalthia longifolia var. pendula
Callicarpa americana
1 reference
stated in
Cytotoxic constituents from the fruiting branches of Callicarpa americana collected in southern Florida
Polyalthia barnesii
1 reference
stated in
Cytotoxic clerodane diterpenes from Polyalthia barnesii
Polyalthia simiarum
1 reference
stated in
Clerodane diterpenes from Polyalthia cheliensis
Huberantha pendula
2 references
stated in
Cytotoxic constituents of Polyalthia longifolia var. pendula
stated in
Clerodane type diterpene as a novel antifungal agent from Polyalthia longifolia var. pendula
Monoon simiarum
1 reference
stated in
Clerodane diterpenes from Polyalthia cheliensis
Monoon barnesii
1 reference
stated in
Cytotoxic clerodane diterpenes from Polyalthia barnesii
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-KXAOQFNBSA-N
0 references
PubChem CID
44224156
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LVSCWEDTMWAASP-KXAOQFNBSA-N
UniChem compound ID
560089
1 reference
stated in
UniChem
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