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(3R,5S,8R,9R,10R,12R,13R,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
(Q105314722)
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From Wikidata
chemical compound
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Label
Description
Also known as
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English
(3R,5S,8R,9R,10R,12R,13R,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
chemical compound
Statements
instance of
type of chemical entity
0 references
subclass of
(8R,10R,12R,13R,17R)-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
1 reference
based on heuristic
inferred from SMILES
17-(2-Hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
1 reference
based on heuristic
inferred from SMILES
mass
476.386560144
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,5R,8R,9R,10R,12R,13S,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Betulafolienetetrol
1 reference
based on heuristic
inferred from InChI
(3S,5R,8R,9S,10R,12R,13S,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
1 reference
based on heuristic
inferred from InChI
(3R,5S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
1 reference
based on heuristic
inferred from InChI
(3R,5R,8R,9R,10R,12S,13R,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₅₂O₄
0 references
canonical SMILES
OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C4(C)CCC(O)(C14)C(O)(C)CCC=C(C)C
0 references
isomeric SMILES
CC(C)=CCC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@]12C
0 references
found in taxon
Betula maximowicziana
1 reference
stated in
Chemical Evaluation of Betula Species in Japan. III. Constituents of Betula maximowicziana.
Identifiers
InChI
InChI=1S/C30H52O4/c1-19(2)10-9-13-29(8,33)30(34)17-16-28(7)24(30)20(31)18-22-26(5)14-12-23(32)25(3,4)21(26)11-15-27(22,28)6/h10,20-24,31-34H,9,11-18H2,1-8H3/t20-,21-,22-,23-,24+,26+,27-,28-,29+,30-/m1/s1
0 references
InChIKey
WXLOZJGXIWMQEC-UDDCCBQUSA-N
0 references
PubChem CID
163007409
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WXLOZJGXIWMQEC-UDDCCBQUSA-N
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(3R,5S,8R,9R,10R,12R,13R,14R,17R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
(Q105314722)
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