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(Q82902246)
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English
Hancockinol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
426.38616621999995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1S,3aS,5aS,5bR,9S,11aR,11bR,13aR,13bS)-3a,5a,8,8,11b,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₅₀O
0 references
canonical SMILES
CC(C)C1CCC2(C)CCC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)CCC3(C)C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)[C@@H]1CC[C@@]2([C@H]1[C@]3(CC[C@]4([C@@H]5CC[C@@H](C(C5=CC[C@H]4[C@@]3(CC2)C)(C)C)O)C)C)C
0 references
Identifiers
InChI
InChI=1S/C30H50O/c1-19(2)20-13-14-27(5)15-17-29(7)23-11-9-21-22(10-12-24(31)26(21,3)4)28(23,6)16-18-30(29,8)25(20)27/h9,19-20,22-25,31H,10-18H2,1-8H3/t20-,22+,23+,24-,25-,27-,28-,29-,30+/m0/s1
0 references
InChIKey
UVFOSIJDDUBTBX-NPUOQVLBSA-N
0 references
CAS Registry Number
132294-77-0
0 references
PubChem CID
195707
1 reference
matched by identifier from
InChIKey
InChIKey
UVFOSIJDDUBTBX-NPUOQVLBSA-N
UniChem compound ID
58003276
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10927618
1 reference
matched by identifier from
InChIKey
InChIKey
UVFOSIJDDUBTBX-NPUOQVLBSA-N
DSSTOX compound identifier
DTXCID701356403
0 references
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