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(Q105378429)
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English
(1R,3S,4R,4aS,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
1 reference
based on heuristic
inferred from SMILES
mass
322.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3S,4R,4aR,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,3S,4S,4aS,8S,8aR)-8-(Hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)decalin-1,3-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₃
0 references
canonical SMILES
OCC1(C)CCCC2(C)C(CCC(=C)C=C)C(O)(C)CC(O)C12
0 references
isomeric SMILES
C=CC(=C)CC[C@H]1[C@@](C)(O)C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@@]21C
0 references
found in taxon
Sideritis lasiantha
1 reference
stated in
Diterpenoids from Sideritis foetens
Sideritis arborescens
1 reference
stated in
Diterpenoids from Sideritis foetens
Identifiers
InChI
InChI=1S/C20H34O3/c1-6-14(2)8-9-16-19(4)11-7-10-18(3,13-21)17(19)15(22)12-20(16,5)23/h6,15-17,21-23H,1-2,7-13H2,3-5H3/t15-,16-,17-,18-,19-,20+/m1/s1
0 references
InChIKey
ZKFWEINMPAYZON-PJBUMPDVSA-N
0 references
PubChem CID
162854463
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZKFWEINMPAYZON-PJBUMPDVSA-N
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