Products for Research Use Only
RegisterLogin

Abiesadine Q

CAT: 0804-HY-N10974Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N10974Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Abiesadine Q (compound 17) is a diterpene compound that can be isolated from the aboveground parts of Abies georgei Orr[1].
CAS Number
369364-79-4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/abiesadine-q.html
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@](CC(C3=CC(C(C)C)=CC=C32)=O)([H])[C@@](C)(CCC1)COC(CCC(O)=O)=O
Molecular Formula
C24H32O5
Molecular Weight
400.51
References & Citations
[1]Yang XW, et aL. Isolation, structure, and bioactivities of abiesadines A-Y, 25 new diterpenes from Abies georgei Orr. Bioorg Med Chem. 2010 Jan 15;18 (2) :744-54.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Abiesadine Q
CAS Number369364-79-4
PubChem CID46230168
IUPAC Name4-[[(1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methoxy]-4-oxobutanoic acid
Molecular FormulaC24H32O5
Molecular Weight400.5
XLogP4.6
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity656
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)COC(=O)CCC(=O)O)C
InChI
InChI=1S/C24H32O5/c1-15(2)16-6-7-18-17(12-16)19(25)13-20-23(3,10-5-11-24(18,20)4)14-29-22(28)9-8-21(26)27/h6-7,12,15,20H,5,8-11,13-14H2,1-4H3,(H,26,27)/t20-,23-,24+/m0/s1
InChIKey
ZSHVSBCOLVBOLB-NKKJXINNSA-N
Chemical Structure
2D Structure
2D structure of Abiesadine Q
CAS: 369364-79-4
CID: 46230168
Formula: C24H32O5
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass400.22497412
Monoisotopic Mass400.22497412
Topological Polar Surface Area80.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity656
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

Related Products

CatalogName
HY-N10973Abiesadine F
HY-133221Abiesadine N
HY-N15349Nocapyrone Q
HY-171702-018PPD-Q
HY-169493-01OPPD-Q
HY-163650-01DTPD-Q
HY-167887-017PPD-Q
HY-153169-016PPD-Q
HY-176151HPPD-Q
HY-P1275-01Tertiapin-Q

Alternative Products

CatalogName
KYB34750-01Abiesadine I
JWB91380-01Abiesadine N
T83216-01Abiesadine F
T83215-01Abiesadine Q

Popular Products