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(Q82007057)
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Abieslactone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(2-{7-methoxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl}propyl)-3-methyl-5H-furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
468.360345396
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R)-2-[(2R)-2-[(3R,5S,9S,10R,13R,14R,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-4-methyl-2H-furan-5-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₄₈O₃
0 references
canonical SMILES
O=C1OC(C=C1C)CC(C)C2CCC3(C4=CCC5C(C)(C)C(OC)CCC5(C)C4CCC23C)C
0 references
isomeric SMILES
CC1=C[C@H](OC1=O)C[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@@H]4C3=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC)C)C)C
0 references
found in taxon
Abies pindrow
1 reference
stated in
A chalcone glycoside from Abies pindrow
Abies sibirica
1 reference
stated in
Triterpenoids from Abies sp. IX. Triterpene lactones from Abies sibirica bark
Abies veitchii
1 reference
stated in
Veitchiolide, a tetracyclic triterpene lactone fromAbies veitchii
Abies mariesii
2 references
stated in
Über die Konstitution des kristallinen Bestandteils in Rinden und Blättern von <I>Abies mariesii</I>, Mast., (I. Mitteil.)
stated in
The structure and the stereochemistry of abieslactone
Identifiers
InChI
InChI=1S/C31H48O3/c1-19(17-21-18-20(2)27(32)34-21)22-11-15-31(7)24-9-10-25-28(3,4)26(33-8)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,21-23,25-26H,10-17H2,1-8H3/t19-,21-,22-,23-,25+,26-,29-,30-,31+/m1/s1
0 references
InChIKey
RHCAOVDBFCREAC-XOUPGTJXSA-N
0 references
CAS Registry Number
38577-26-3
0 references
PubChem CID
161784
1 reference
matched by identifier from
InChIKey
InChIKey
RHCAOVDBFCREAC-XOUPGTJXSA-N
UniChem compound ID
45449898
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60276507
1 reference
matched by identifier from
InChIKey
InChIKey
RHCAOVDBFCREAC-XOUPGTJXSA-N
DSSTOX compound identifier
DTXCID70227787
0 references
NSC number
93986
0 references
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