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(Q82942598)
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Vouacapan
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5,6-Dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
O=C(O)C1C=2C=COC2CC3C1C(O)C(O)C4C(C)(C)CCCC34C
0 references
isomeric SMILES
CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@@H](C(=O)O)[C@@H]3[C@@H](O)[C@H](O)[C@@H]12
0 references
found in taxon
Pterodon emarginatus
3 references
stated in
Possible participation of endogenous opioid peptides on the mechanism involved in analgesia induced by vouacapan
stated in
Diterpenoid furans from Pterodon species
stated in
Diterpenoids from Pterodon polygalaeflorus
Identifiers
InChI
InChI=1S/C20H28O5/c1-19(2)6-4-7-20(3)11-9-12-10(5-8-25-12)13(18(23)24)14(11)15(21)16(22)17(19)20/h5,8,11,13-17,21-22H,4,6-7,9H2,1-3H3,(H,23,24)/t11-,13+,14+,15+,16-,17-,20+/m0/s1
0 references
InChIKey
GHQBUKANOGSFQS-WENPLGDPSA-N
0 references
CAS Registry Number
40819-81-6
1 reference
InChIKey
GHQBUKANOGSFQS-WENPLGDPSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=40819-81-6
PubChem CID
162431
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHQBUKANOGSFQS-WENPLGDPSA-N
UniChem compound ID
149051
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30961231
1 reference
matched by identifier from
InChIKey
InChIKey
GHQBUKANOGSFQS-WENPLGDPSA-N
DSSTOX compound identifier
DTXCID401389063
0 references
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