Dendrobine

CAT: 0926-FD73859-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FD73859-02Size:10 mg

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CAS Number

2115-91-5

MDL Number

MFCD17676142

Smiles

CC (C) [C@H]1[C@H]2[C@@H]3CC[C@H]4[C@@]3 ([C@@H] ([C@@H]1OC2=O) N (C4) C) C

Molecular Formula

C16H25NO2

Molecular Weight

263.38 g/mol

Controlled

Chemical Information

Dendrobine

Dendrobine is a member of indoles.

CAS Number	2115-91-5
PubChem CID	442523
IUPAC Name	(1S,4S,7S,8R,11R,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
Molecular Formula	C16H25NO2
Molecular Weight	263.37
XLogP	3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	434

SMILES

CC(C)[C@H]1[C@H]2[C@@H]3CC[C@H]4[C@@]3([C@@H]([C@@H]1OC2=O)N(C4)C)C

InChI

InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12-,13-,14-,16+/m1/s1

InChIKey

RYAHJFGVOCZDEI-UFFNCVEVSA-N

Chemical Structure

2D Structure

CAS: 2115-91-5

CID: 442523

Formula: C16H25NO2

MW: 263.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.37
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	263.188529040
Monoisotopic Mass	263.188529040
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	434
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
300176	Dendrobine
HY-N0638R-01	Dendrobine (Standard)