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(Q82632958)
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English
6-[2-(1,7-Dihydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,7,8,8a-octahydroazulen-5-yl)ethyl]-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
492.381474764
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₅₂O₅
0 references
canonical SMILES
OC1C(=C(CCC2C(O)(C)CCC3OC(C)(C)C(O)CCC32C)C(C)(C)C4CCC(O)(C)C4C1)C
0 references
found in taxon
Ovabunda biseriata
1 reference
stated in
Recent research in marine natural products from the Red Sea
Callyspongia siphonella
1 reference
stated in
Sipholane triterpenoids: chemistry, reversal of ABCB1/P-glycoprotein-mediated multidrug resistance, and pharmacophore modeling.
Identifiers
InChI
InChI=1S/C30H52O5/c1-18-19(26(2,3)20-11-15-29(7,33)21(20)17-22(18)31)9-10-23-28(6)14-12-24(32)27(4,5)35-25(28)13-16-30(23,8)34/h20-25,31-34H,9-17H2,1-8H3
0 references
InChIKey
SERJIGRFXKIBIE-UHFFFAOYSA-N
0 references
CAS Registry Number
86748-31-4
0 references
PubChem CID
53438507
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
SERJIGRFXKIBIE-UHFFFAOYSA-N
UniChem compound ID
68421735
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40701347
1 reference
matched by identifier from
InChIKey
InChIKey
SERJIGRFXKIBIE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70652095
0 references
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