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7-Hydroxykaurenolide

CAT: 0013-GTR19277971-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277971-05Size:5 mg
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Description
7-Hydroxykaurenolide is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
5691-63-4
Smiles
[H][C@@]12[C@H]3OC (=O) [C@]1 (C) CCC[C@]2 (C) [C@]1 ([H]) CC[C@@H]2C[C@]1 (CC2=C) [C@H]3O
Molecular Formula
C20H28O3
Molecular Weight
316.44
Notes
For research use only.

Chemical Information

6alpha,7beta-Dihydroxykaur-16-en-18-oic acid gamma-lactone

(1R,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one is a diterpene lactone.

CAS Number5691-63-4
PubChem CID51136329
IUPAC Name(1R,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
Molecular FormulaC20H28O3
Molecular Weight316.4
XLogP3.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity612
SMILES
C[C@]12CCC[C@@]3([C@H]1[C@H]([C@@H]([C@]45[C@H]2CC[C@H](C4)C(=C)C5)O)OC3=O)C
InChI
InChI=1S/C20H28O3/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3)15(18)14(16(20)21)23-17(19)22/h12-16,21H,1,4-10H2,2-3H3/t12-,13+,14-,15+,16+,18-,19-,20+/m1/s1
InChIKey
AHKUFTRUMQKIPH-VQFHSHCMSA-N
Chemical Structure
2D Structure
2D structure of 6alpha,7beta-Dihydroxykaur-16-en-18-oic acid gamma-lactone
CAS: 5691-63-4
CID: 51136329
Formula: C20H28O3
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass316.20384475
Monoisotopic Mass316.20384475
Topological Polar Surface Area46.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes