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(Q105301042)
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English
6,14,17-Trihydroxy-17-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-1-one
group of stereoisomers with the chemical formula C₂₈H₄₀O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
Withanolides
1 reference
inferred from
Withanolides
mass
488.27740362
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₀O₇
0 references
canonical SMILES
O=C1C=CC=C2C(O)CC3C(CCC4(C)C(O)(CCC34O)C(C)C5OC(O)C6(OC6(C)C5)C)C12C
0 references
found in taxon
Jaborosa bergii
1 reference
stated in
14β,17β-dihydroxywithanolides from Jaborosa bergii
Identifiers
InChI
InChI=1S/C28H40O7/c1-15(20-14-24(3)26(5,35-24)22(31)34-20)27(32)11-12-28(33)18-13-19(29)17-7-6-8-21(30)25(17,4)16(18)9-10-23(27,28)2/h6-8,15-16,18-20,22,29,31-33H,9-14H2,1-5H3
0 references
InChIKey
WBTUHPVFVFHFQO-UHFFFAOYSA-N
0 references
PubChem CID
163190091
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WBTUHPVFVFHFQO-UHFFFAOYSA-N
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