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(Q82946944)
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Stigmastan-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
17-(5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from SMILES
Stigmastan-3-one
1 reference
based on heuristic
inferred from SMILES
mass
414.38616622
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from InChI
(5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₅₀O
0 references
canonical SMILES
O=C1CCC2(C)C(C1)CCC3C4CCC(C(C)CCC(CC)C(C)C)C4(C)CCC32
0 references
isomeric SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)C(C)C
0 references
found in taxon
Alnus japonica
1 reference
stated in
Biarylheptanoids and other constituents from wood of Alnus japonica
Artemisina apollinis
1 reference
stated in
Steroids from Aquatic Organisms, XIX. New Sterols from the Antarctic Sponge Artemisina apollinis
Conium maculatum
1 reference
stated in
Steroids from Poison Hemlock (Conium maculatum L.): A GC-MS analysis
Croton palanostigma
1 reference
stated in
Isolation, X-ray crystal structure and theoretical calculations of the new compound 8-Eepicordatin and identification of others terpenes and steroids from the bark and leaves of Croton palanostigma Klotzsch
Gynura japonica
1 reference
stated in
Cerebrosides from the Rhizomes ofGynura Japonica
Inula anatolica
1 reference
stated in
Guaianolides from Inula anatolica
Larix kaempferi
1 reference
stated in
Tetracyclic triterpenes and other constituents from the leaves and bark of Larix kaempferi
Pinus wallichiana
1 reference
stated in
Palaeophytochemical Components from the Miocene-Fossil Wood ofPinus Griffithii
Rhinacanthus nasutus
1 reference
stated in
A quinol and steroids from the leaves and stems of Rhinacanthus nasutus
Withania somnifera
1 reference
stated in
1,4-Dioxane and ergosterol derivatives fromWithania somniferaroots
Identifiers
InChI
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-22,24-27H,7-18H2,1-6H3/t20-,21-,22+,24+,25-,26+,27+,28+,29-/m1/s1
0 references
InChIKey
BVVFRHKBULZQCQ-KWMXJCMHSA-N
0 references
CAS Registry Number
5060-25-3
0 references
PubChem CID
5491512
0 references
UniChem compound ID
52446995
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80964833
0 references
DSSTOX compound identifier
DTXCID201392517
0 references
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