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(Q72470620)
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English
Effusanin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
kaurane diterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S,5R,8S,9S,10S,11R,15S)-9,10,15-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one
1 reference
based on heuristic
inferred from InChI
Xerophilusin I
1 reference
based on heuristic
inferred from InChI
(1S,2S,5R,8S,9S,10S,11R,15R)-9,10,15-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
C=C1C(=O)C23CC1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H28O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12+,13+,14-,16+,18-,19+,20-/m1/s1
0 references
InChIKey
PXLVZESUZUOWAJ-SLMDOUBJSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
30220-43-0
0 references
PubChem CID
34174827
1 reference
matched by identifier from
InChIKey
InChIKey
PXLVZESUZUOWAJ-SLMDOUBJSA-N
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