2,16-Kauranediol

CAT: 0926-JBA30237-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-JBA30237-02Size:10 mg

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CAS Number

34302-37-9

Smiles

CC1 (C) CC (O) C[C@]2 (C) [C@]3 ([H]) [C@]4 (C[C@@] ([C@H] (CC3) C4) (O) C) CC[C@@]12[H]

Molecular Formula

C20H34O2

Molecular Weight

306.5 g/mol

Controlled

Chemical Information

ent-Kaurane-2alpha,16beta-diol

CAS Number	34302-37-9
PubChem CID	73554058
IUPAC Name	(1R,4S,9S,10S,13R,14S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-7,14-diol
Molecular Formula	C20H34O2
Molecular Weight	306.5
XLogP	4.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	486

SMILES

C[C@]12CC(CC([C@@H]1CC[C@@]34[C@@H]2CC[C@H](C3)[C@@](C4)(C)O)(C)C)O

InChI

InChI=1S/C20H34O2/c1-17(2)10-14(21)11-18(3)15(17)7-8-20-9-13(5-6-16(18)20)19(4,22)12-20/h13-16,21-22H,5-12H2,1-4H3/t13-,14?,15+,16-,18+,19+,20-/m1/s1

InChIKey

YVJJGMPQYRNACB-CGZHXTAKSA-N

Chemical Structure

2D Structure

CAS: 34302-37-9

CID: 73554058

Formula: C20H34O2

MW: 306.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.5
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	306.255880323
Monoisotopic Mass	306.255880323
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	486
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
VHA72338-01	2,16,19-Kauranetriol 2-o-beta-D-allopyranoside
VHA73516-01	2,6,16-Kauranetriol 2-o-beta-D-allopyranoside
DCA86634-01	Estrone-2,4,16,16-d4
YFC06615	N-Hexadecyl-1,1,2,2-d4 hexadecanoate-16,16,16-d3
JGA70121-01	16:0-18:2 PC
ACA58844	5α-Androsta-2,16-diene
FM66810-01	16-Methyl-16-dehydropregnenolone
QGA45953-01	16-Hydroxy-2-oxocleroda-3,13-dien-15,16-olide
KMB29370-01	(4→2) -Abeo-16-hydroxycleroda-2,13-dien-15,16-olide-3-al
SEC86209-01	16-NBD-16:0 coenzyme A

Catalog	Name
TN2676	2,16-Kauranediol
HY-N1646	2,16-Kauranediol 2-O-β-D-allopyranoside
TN2675	2,16-Kauranediol 2-O-beta-D-allopyranoside
P144529	Hexadecanoic-2,2,16,16,16-d5 Acid
H293812	n-Hexadecyl-2,2,16,16,16-d5 Alcohol
GC2791-50mg	Estrone-2,4,16,16-d4
sc-234864	Equilin-2,4,16,16-d4
HY-147719	COX-2-IN-16
5122G93	CFC-16-2
T62071-01	VEGFR-2-IN-16