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(Q104945767)
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English
(4aR,5S,8S,8aS)-8-methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-Methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
1 reference
based on heuristic
inferred from SMILES
mass
250.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aR,5S,8R,8aR)-8-methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4aS,5S,8S,8aR)-8-methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
1 reference
based on heuristic
inferred from InChI
(4aS,5S,8S,8aS)-8-methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₆O₂
0 references
canonical SMILES
O=C1C(=CC2C(CCC(OC)(C)C2C1)C(C)C)C
0 references
isomeric SMILES
CO[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2C=C(C)C(=O)C[C@@H]21
0 references
found in taxon
Garcinia acuminata
1 reference
stated in
Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii
Garcinia scortechinii
1 reference
stated in
Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii
Zanthoxylum ailanthoides
1 reference
stated in
Two new sesquiterpenoids and anti-HIV principles from the root bark of Zanthoxylum ailanthoides
Garcinia elliptica
1 reference
stated in
Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii
Garcinia ovalifolia
1 reference
stated in
Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii
Garcinia dulcis
1 reference
stated in
Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii
Identifiers
InChI
InChI=1S/C16H26O2/c1-10(2)12-6-7-16(4,18-5)14-9-15(17)11(3)8-13(12)14/h8,10,12-14H,6-7,9H2,1-5H3/t12-,13-,14-,16-/m0/s1
0 references
InChIKey
BTNRRZLQYKOIDQ-YXWQFLTLSA-N
0 references
PubChem CID
11357159
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32412101
1 reference
stated in
UniChem
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