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(Q104986477)
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Chermesin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1,1,3'a,4',4a,6,7'-heptamethylspiro[3,4,6,7,8,8a-hexahydronaphthalene-5,2'-3H-1-benzofuran]-2,6'-dione
1 reference
based on heuristic
inferred from SMILES
mass
370.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₄O₃
0 references
canonical SMILES
O=C1C=C(C)C2(C(OC3(C2)C(C)CCC4C(C(=O)CCC43C)(C)C)=C1C)C
0 references
isomeric SMILES
CC1=CC(=O)C(C)=C2O[C@@]3(C[C@]12C)[C@@H](C)CC[C@H]1C(C)(C)C(=O)CC[C@@]13C
0 references
found in taxon
Penicillium chermesinum
1 reference
stated in
Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.
Identifiers
InChI
InChI=1S/C24H34O3/c1-14-8-9-18-21(4,5)19(26)10-11-23(18,7)24(14)13-22(6)15(2)12-17(25)16(3)20(22)27-24/h12,14,18H,8-11,13H2,1-7H3/t14-,18-,22+,23-,24-/m0/s1
0 references
InChIKey
DPFQPNJTINPILZ-IGEYXDNXSA-N
0 references
PubChem CID
139048357
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
227577
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H34O3/c1-14-8-9-18-21(4,5)19(26)10-11-23(18,7)24(14)13-22(6)15(2)12-17(25)16(3)20(22)27-24/h12,14,18H,8-11,13H2,1-7H3/t14-,18-,22+,23-,24-/m0/s1
UniChem compound ID
170468556
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA021918
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DPFQPNJTINPILZ-IGEYXDNXSA-N
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