18-Deoxycytochalasin H

CAT: 0926-RFA99472-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-RFA99472-01Size:5 mg

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CAS Number

141994-72-1

MDL Number

MFCD00911041

Smiles

COC1=CC=CC (=C1) C=CC=CC (=O) O

Molecular Formula

C30H39NO4

Molecular Weight

477.6 g/mol

Controlled

Chemical Information

18-Dehydroxycytochalasin H

[(3E,9E)-16-Benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate has been reported in Hypoxylon fragiforme with data available.

CAS Number	141994-72-1
PubChem CID	6436190
IUPAC Name	[(3E,9E)-16-benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Molecular Formula	C30H39NO4
Molecular Weight	477.6
XLogP	4.8
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	35
Formal Charge	0
Complexity	872

SMILES

CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C/C(C1)C)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O

InChI

InChI=1S/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)/b13-9+,15-14+

InChIKey

JVHIPYJQMFNCEK-BBXOWAOSSA-N

Chemical Structure

2D Structure

CAS: 141994-72-1

CID: 6436190

Formula: C30H39NO4

MW: 477.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	477.28790873
Monoisotopic Mass	477.28790873
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	872
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
TRC-S686499-25MG	Octadecanoic-18,18,18-d3 Acid
HY-W011222S1-01	1-Bromooctadecane-18,18,18-d3
sc-236934	Stearic acid-18,18,18-d3
T886456	Glyceryl Tri(octadecanoate-18,18,18-d3)
MBS343012-01	Cytokeratin-18 (CK-18)
MO-C40094A-01	Interleukin-18 (IL-18)
GTR19194971	CP-18 F-18
MM-1009-02	Cytokeratin 18 (CK 18)
228184	Cytokeratin 18 (Keratin 18)
MBS393822-01	Linolenic-17,17,18,18,18-D5 Acid

18-Deoxycytochalasin H

Chemical Information

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