Cytochalasin H (>90%)

CAT: 0572-TRC-C998715-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C998715-5MGSize:5 mg

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CAS Number

53760-19-3

Synonyms

Cytochalasin O; Kodocytochalasin 1; (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one

Hazard Statement

Fatal if swallowed; UN number: UN3462; Packing Group: I

Smiles

C[C@H]1C\C=C\[C@H]2[C@H](O)C(=C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](OC(=O)C)\C=C\[C@](C)(O)C1

Molecular Formula

C30 H39 N O5

Molecular Weight

493.63

InChI

InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Cytochalasin H

Cytochalasin H is a cytochalasan alkaloid.

CAS Number	53760-19-3
PubChem CID	13892272
IUPAC Name	[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Molecular Formula	C30H39NO5
Molecular Weight	493.6
XLogP	3.4
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	36
Formal Charge	0
Complexity	920

SMILES

C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O

InChI

InChIKey

NAEWXXDGBKTIMN-OWTACEMYSA-N

Chemical Structure

2D Structure

CAS: 53760-19-3

CID: 13892272

Formula: C30H39NO5

MW: 493.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	493.6
XLogP3	3.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	493.28282334
Monoisotopic Mass	493.28282334
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	920
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
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
ALX-380-057-M001	Cytochalasin A
C4390-1	Cytochalasin J
HY-N14696	Cytochalasin M
FC29349-01	Cytochalasin D
FC11288-01	Cytochalasin B
HY-N6772	Cytochalasin E
TN10188-01	Cytochalasin G
T82628-01	Cytochalasin N
T82627-01	Cytochalasin O

Cytochalasin H (>90%)

Chemical Information

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