15 (R) -Pinane Thromboxane A2

CAT: 0024-sc-220628Size: 500 µgDry Ice: NoHazardous: No

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CAT#:0024-sc-220628Size:500 µg

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CAS Number

71154-83-1

Chemical Information

Pinane-thromboxane A2

RN given refers to (1S-(1a alpha,2 beta(Z),3 alpha(1E,3S*),5 alpha))-isomer; structure in second source

CAS Number	71154-83-1
PubChem CID	6438641
IUPAC Name	(Z)-7-[(1S,2R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular Formula	C24H40O3
Molecular Weight	376.6
XLogP	6.2
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	27
Formal Charge	0
Complexity	520

SMILES

CCCCC[C@H](/C=C/C1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C)O

InChI

InChI=1S/C24H40O3/c1-4-5-8-11-20(25)15-14-18-16-19-17-22(24(19,2)3)21(18)12-9-6-7-10-13-23(26)27/h6,9,14-15,18-22,25H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6-,15-14+/t18?,19-,20+,21+,22-/m0/s1

InChIKey

OHJIHGVLRDHSDV-AJKZGVCQSA-N

Chemical Structure

2D Structure

CAS: 71154-83-1

CID: 6438641

Formula: C24H40O3

MW: 376.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	376.6
XLogP3	6.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	376.29774513
Monoisotopic Mass	376.29774513
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	520
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
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sc-259105	(1S) - (-) -trans-Pinane
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sc-355944A	Pinane, endo + exo
sc-220627	15 (R) -HEDE
sc-205033A	15 (R) -Iloprost
sc-220627A	15 (R) -HEDE
sc-205032A	15 (R) -HETE

Alternative Products

Catalog	Name
463202-01	PTA2 (Pinane thromboxane A2)
MBS5797391	15(R)-Pinane Thromboxane A2
WCA15483-01	15 (R) -Pinane thromboxane A2
287356-01	Pinane, endo+exo
TRC-C117000-1MG	3-endo-Chloro-pinane (Technical Grade)
T73855-01	Thromboxane B1
HY-113445-01	Thromboxane B3
MBS6098281-01	Thromboxane B2
HY-113350	Thromboxane A2
MBS8578457-01	Thromboxane synthase

15 (R) -Pinane Thromboxane A2

Chemical Information

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