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(Q77564901)
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Isocyathisterol
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
17-(5,6-dimethylhept-3-en-2-yl)-8-hydroxy-10,13-dimethyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from SMILES
mass
410.318480584
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₂O₂
0 references
canonical SMILES
O=C1C=C2C=CC3(O)C(CCC4(C)C(CCC34)C(C=CC(C)C(C)C)C)C2(C)CC1
0 references
isomeric SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(C=CC4=CC(=O)CC[C@]34C)O)C
0 references
found in taxon
Aspergillus ustus
1 reference
stated in
Ergosteroid derivatives from an algicolous strain of Aspergillus ustus.
Calvatia cyathiformis
1 reference
stated in
Steroids from Calvatia cyathiformis
Calvatia nipponica
1 reference
stated in
Calvatianone, a Sterol Possessing a 6/5/6/5-Fused Ring System with a Contracted Tetrahydrofuran B-Ring, from the Fruiting Bodies of Calvatia nipponica
Identifiers
InChI
InChI=1S/C28H42O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-27(23,6)15-13-25-26(5)14-12-22(29)17-21(26)11-16-28(24,25)30/h7-8,11,16-20,23-25,30H,9-10,12-15H2,1-6H3/b8-7+/t19-,20+,23+,24+,25+,26-,27+,28+/m0/s1
0 references
InChIKey
UVNYUMXKLUCIGN-CMLOMSQHSA-N
2 references
stated in
PubChem
PubChem CID
132849744
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
132849744
language of work or name
English
PubChem CID
132849744
2 references
stated in
PubChem
PubChem CID
132849744
language of work or name
English
matched by identifier from
InChIKey
InChIKey
UVNYUMXKLUCIGN-CMLOMSQHSA-N
ChEBI ID
217002
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H42O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-27(23,6)15-13-25-26(5)14-12-22(29)17-21(26)11-16-28(24,25)30/h7-8,11,16-20,23-25,30H,9-10,12-15H2,1-6H3/b8-7+/t19-,20+,23+,24+,25+,26-,27+,28+/m0/s1
UniChem compound ID
154001320
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015406
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UVNYUMXKLUCIGN-CMLOMSQHSA-N
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