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(Q76085451)
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Hellebrigenin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
hellebrigenin
1 reference
based on heuristic
inferred from SMILES
mass
416.219888744
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₂O₆
0 references
canonical SMILES
O=CC12CCC(O)CC2(O)CCC3C1CCC4(C)C(C5=COC(=O)C=C5)CCC34O
0 references
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
0 references
found in taxon
Common toad
3 references
stated in
Quality evaluation of traditional Chinese drug toad venom from different origins through a simultaneous determination of bufogenins and indole alkaloids by HPLC.
stated in
Studies on cytotoxic constituents from the skin of the toad Bufo bufo gargarizans
stated in
Beitrag zur Konstitutionsermittlung des Bufotalinins. Krötengift 14. Mitteilung
Asiatic toad
2 references
stated in
Quality evaluation of traditional Chinese drug toad venom from different origins through a simultaneous determination of bufogenins and indole alkaloids by HPLC.
stated in
Studies on cytotoxic constituents from the skin of the toad Bufo bufo gargarizans
Cane Toad (Rhinella marina)
1 reference
stated in
Isolation and characterization of novel endogenous digitalis-like factors in the ovary of the giant toad, Bufo marinus.
Berber toad
1 reference
stated in
Isolierung und Identifizierung der Steroide des Giftsekretes der Berberkröte (Pantherkröte)Bufo mauretanicus L. Über Krötengifte, 11. Mitteilung
Bufotes viridis
1 reference
stated in
Occurrence of bufadienolides in the skin of Bufo viridis Laur
Bufotes zugmayeri
1 reference
stated in
Occurrence of bufadienolides in the skin of Bufo viridis Laur
Kalanchoe laciniata
2 references
stated in
Kalanchosides A-C, new cytotoxic bufadienolides from the aerial parts of Kalanchoe gracilis
stated in
Kalanchosides A—C, New Cytotoxic Bufadienolides from the Aerial Parts of Kalanchoe gracilis.
Bufo
1 reference
stated in
Studies on toad venom (2): Examination of the drying processing method
Duttaphrynus melanostictus
1 reference
stated in
Chemical Constituents of Vietnamese Toad Venom, Collected From Bufo melanostictus Schneider. Part II. The Bufadienolides
Helleborus odorus
1 reference
stated in
Phytochemical evaluation of Helleborus Species Growing in Northern Italy
Helleborus viridis
1 reference
stated in
Phytochemical evaluation of Helleborus Species Growing in Northern Italy
Kalanchoe ceratophylla
1 reference
stated in
Kalanchosides A—C, New Cytotoxic Bufadienolides from the Aerial Parts of Kalanchoe gracilis.
Identifiers
InChI
InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1
0 references
InChIKey
TVKPTWJPKVSGJB-XHCIOXAKSA-N
0 references
CAS Registry Number
465-90-7
1 reference
InChIKey
TVKPTWJPKVSGJB-XHCIOXAKSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=465-90-7
PubChem CID
259577
1 reference
matched by identifier from
InChIKey
InChIKey
TVKPTWJPKVSGJB-XHCIOXAKSA-N
UniChem compound ID
1073591
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90963594
1 reference
matched by identifier from
InChIKey
InChIKey
TVKPTWJPKVSGJB-XHCIOXAKSA-N
DSSTOX compound identifier
DTXCID701391338
0 references
NSC number
89594
0 references
Probes And Drugs ID
PD166739
0 references
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