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(Q72482556)
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English
Hop-17(21)-en-3-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
hopane triterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
426.38616622
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Hop-17(21)-en-3beta-ol
1 reference
based on heuristic
inferred from InChI
(5aR,5bR,7aR,9S,11aS,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-9-ol
1 reference
based on heuristic
inferred from InChI
(5aR,5bR,7aS,9R,11aR,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-9-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₅₀O
0 references
canonical SMILES
CC(C)C1=C2CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(C)CC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h19,22-25,31H,9-18H2,1-8H3/t22-,23+,24+,25-,27-,28-,29+,30+/m0/s1
0 references
InChIKey
DHBQQMHTQXHLJU-JFAFVJIASA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
564-14-7
0 references
PubChem CID
91632878
1 reference
matched by identifier from
InChIKey
InChIKey
DHBQQMHTQXHLJU-JFAFVJIASA-N
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