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(+) -12α-Hydroxyisodrimenin

CAT: 0804-HY-N1032-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1032-01Size:1 mg
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Description
(+) -12α-Hydroxyisodrimenin (compound 7) is a drimanic sesquiterpene that can be found in sponge Dysidea fusca[1].
CAS Number
218780-16-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/plus-12α-hydroxyisodrimenin.html
Solubility
10 mM in DMSO
Smiles
C[C@@]12C3=C([C@H](OC3=O)O)CC[C@@]1([H])C(C)(CCC2)C
Molecular Formula
C15H22O3
Molecular Weight
250.33
References & Citations
[1]Nakano, et al. Synthesis of Drimanic Sesquiterpenes, (+) -Valdiviolide, (+) -12α-Hydroxyisodrimenin and (+) -Winterin. Journal of Chemical Research, 1998, (9), 560-561.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

12-Hydroxyisodrimenin
CAS Number218780-16-6
PubChem CID10944854
IUPAC Name(3S,5aS,9aS)-3-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-3H-benzo[g][2]benzofuran-1-one
Molecular FormulaC15H22O3
Molecular Weight250.33
XLogP3.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity435
SMILES
C[C@]12CCCC([C@@H]1CCC3=C2C(=O)O[C@@H]3O)(C)C
InChI
InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10,12,16H,4-8H2,1-3H3/t10-,12-,15-/m0/s1
InChIKey
QQRBWENXGSIZJM-WBIUFABUSA-N
Chemical Structure
2D Structure
2D structure of 12-Hydroxyisodrimenin
CAS: 218780-16-6
CID: 10944854
Formula: C15H22O3
MW: 250.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight250.33
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass250.15689456
Monoisotopic Mass250.15689456
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes