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Sodwanone G
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[2-(2,2,5a-Trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl)ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione
1 reference
based on heuristic
inferred from SMILES
mass
498.298139064
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₂O₆
0 references
canonical SMILES
O=C1C(O)=C2C(C(=O)CCC2(C(=C1C)CCC3C4(OC4)CCC5OC(C(=O)CCC53C)(C)C)C)(C)C
0 references
isomeric SMILES
CC1=C([C@]2(CCC(=O)C(C2=C(C1=O)O)(C)C)C)CC[C@H]3[C@@]4(CCC(=O)C(O[C@H]4CC[C@@]35CO5)(C)C)C
0 references
found in taxon
Axinella weltneri
2 references
stated in
Sodwanones G, H, and I, new cytotoxic triterpenes from a marine sponge
stated in
Sodwanones K, L, and M; new triterpenes from the marine sponge Axinella weltneri
Identifiers
InChI
InChI=1S/C30H42O6/c1-17-18(28(6)13-10-20(31)26(2,3)25(28)24(34)23(17)33)8-9-19-29(7)14-11-21(32)27(4,5)36-22(29)12-15-30(19)16-35-30/h19,22,34H,8-16H2,1-7H3/t19-,22-,28+,29-,30+/m0/s1
0 references
InChIKey
NNSDVWQYMDQAMP-CYSGHGSPSA-N
0 references
CAS Registry Number
172854-77-2
0 references
PubChem CID
181445
1 reference
matched by identifier from
InChIKey
InChIKey
NNSDVWQYMDQAMP-CYSGHGSPSA-N
UniChem compound ID
51754
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90938222
1 reference
matched by identifier from
InChIKey
InChIKey
NNSDVWQYMDQAMP-CYSGHGSPSA-N
DSSTOX compound identifier
DTXCID401366762
0 references
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