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(Q105153141)
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English
3beta-Acetoxylabda-8(20),12E,14-trien-2alpha-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[3-hydroxy-1,1,4a-trimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
346.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(2R,3R,4aR,5S,8aS)-3-hydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(2S,3S,4aS,5R,8aS)-3-hydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₄O₃
0 references
canonical SMILES
O=C(OC1C(O)CC2(C)C(C(=C)CCC2C1(C)C)CC=C(C=C)C)C
0 references
isomeric SMILES
C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)[C@H](O)C[C@]12C
0 references
found in taxon
Chrozophora oblongifolia
1 reference
stated in
Cytotoxic labdane diterpenoids from Croton oblongifolius
Croton oblongifolius
1 reference
stated in
Cytotoxic labdane diterpenoids from Croton oblongifolius
Plectranthus fruticosus
1 reference
stated in
Labdane and kaurane diterpenoids from Plectranthus fruticosus
Identifiers
InChI
InChI=1S/C22H34O3/c1-8-14(2)9-11-17-15(3)10-12-19-21(5,6)20(25-16(4)23)18(24)13-22(17,19)7/h8-9,17-20,24H,1,3,10-13H2,2,4-7H3/b14-9+/t17-,18+,19-,20-,22+/m0/s1
0 references
InChIKey
LKMOGVWLLWEGRV-PPOUEPODSA-N
0 references
PubChem CID
10936926
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LKMOGVWLLWEGRV-PPOUEPODSA-N
UniChem compound ID
193626
1 reference
stated in
UniChem
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