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(Q104397044)
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English
9-Hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,13,13b-dodecahydrocyclopenta[a]chrysene-6,12-dione
group of stereoisomers with the chemical formula C₃₀H₄₆O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
fernane triterpenoid
1 reference
inferred from
fernane triterpenoid
mass
454.344695332
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₆O₃
0 references
canonical SMILES
O=C1C2=C(C(=O)CC3(C)C4CCC(C(C)C)C4(C)CCC23C)C5(C)CCC(O)C(C)(C)C5C1
0 references
found in taxon
Euphorbia supina
3 references
stated in
Fernane and unusually migrated fernane triterpene-triones from Euphorbia supina
stated in
Fernane and multiflorane triterpene ketols from Euphorbia supina
stated in
Triterpenoids from Euphorbia maculata
Euphorbia maculata
3 references
stated in
Triterpenoids from Euphorbia maculata
stated in
Fernane and multiflorane triterpene ketols from Euphorbia supina
stated in
Fernane and unusually migrated fernane triterpene-triones from Euphorbia supina
Identifiers
InChI
InChI=1S/C30H46O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-18,21-23,33H,9-16H2,1-8H3
0 references
InChIKey
TWWFTEIDBDUQPG-UHFFFAOYSA-N
0 references
PubChem CID
14414414
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TWWFTEIDBDUQPG-UHFFFAOYSA-N
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