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(Q77491235)
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Pinicolol B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
17-(1-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
1 reference
based on heuristic
inferred from SMILES
mass
456.360345396
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₈O₃
0 references
canonical SMILES
OCC(CCC=C(C)C)C1CC(O)C2(C3=CCC4C(C3=CCC12C)(C)CCC(O)C4(C)C)C
0 references
isomeric SMILES
CC(C)=CCC[C@@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
0 references
found in taxon
Fomitopsis pinicola
3 references
stated in
Steroids from the fungus Fomitopsis pinicola
stated in
Steroids from the fungus Fomitopsis pinicola
stated in
Steroids from the fungus Fomitopsis pinicola
Identifiers
InChI
InChI=1S/C30H48O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-26,31-33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,25-,26-,28+,29+,30+/m0/s1
0 references
InChIKey
SYYMLPJRZHTLKJ-LNISQLTRSA-N
2 references
stated in
PubChem
PubChem CID
15894360
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
15894360
language of work or name
English
PubChem CID
15894360
2 references
stated in
PubChem
PubChem CID
15894360
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SYYMLPJRZHTLKJ-LNISQLTRSA-N
ChEBI ID
209748
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H48O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-26,31-33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,25-,26-,28+,29+,30+/m0/s1
UniChem compound ID
55053783
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009640
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SYYMLPJRZHTLKJ-LNISQLTRSA-N
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