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(Q105288351)
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English
(1-hydroxy-5b,8,8,11a,13a-pentamethyl-3-oxo-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-13-yl) acetate
group of stereoisomers with the chemical formula C₂₇H₄₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
scalarane sesterterpenoid
1 reference
inferred from
scalarane sesterterpenoid
mass
444.28757438
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₀O₅
0 references
canonical SMILES
O=C1OC(O)C2C1=CCC3C4(C)CCC5C(C)(C)CCCC5(C)C4CC(OC(=O)C)C23C
0 references
found in taxon
Spongia matamata
1 reference
stated in
Three New Cytotoxic Sesterterpenes from a Marine SpongeSpongiasp
Spongia
1 reference
stated in
New Metabolites from the SpongeSpongia agaricina
Spongia agaricina
1 reference
stated in
Two new sesterterpenoids and a new 9,11-secosterol from Spongia matamata
Identifiers
InChI
InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8,17-21,23,30H,7,9-14H2,1-6H3
0 references
InChIKey
VLFJWLVMFJQJEU-UHFFFAOYSA-N
0 references
PubChem CID
12315344
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
44356986
1 reference
stated in
UniChem
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