Chrymutasin A

CAT: 0931-TN10292-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10292-01Size:10 mg

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CAS Number

155213-40-4

Target

Antibiotic, Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Chrymutasin A is a glycoside antitumor antibiotic, known for its cytotoxic properties.

Smiles

O=C1C=2C=3C=4C(C(=O)OC3C=5C1=CC=CC5O[C@H]6[C@H](O[C@@H]7[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O7)[C@@H](O)[C@@H](O)[C@@H](C)O6)=C(C)C=CC4C(=O)C2N

Molecular Formula

C33H33NO13

Molecular Weight

651.614

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Chrymutasin A

Chrymutasin A is a glycoside.

CAS Number	155213-40-4
PubChem CID	135466899
IUPAC Name	3-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-10-imino-15-methyl-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-11,17-dione
Molecular Formula	C33H33NO13
Molecular Weight	651.6
XLogP	1.2
Topological Polar Surface Area	215
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Heavy Atom Count	47
Formal Charge	0
Complexity	1230

SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)C(=O)C(=N)C5=C3O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)OC)O)O)O

InChI

InChI=1S/C33H33NO13/c1-10-8-9-14-18-16(10)31(41)46-28-17-13(24(37)20(19(18)28)21(34)25(14)38)6-5-7-15(17)45-33-30(26(39)22(35)11(2)44-33)47-32-27(40)29(42-4)23(36)12(3)43-32/h5-9,11-12,22-23,26-27,29-30,32-37,39-40H,1-4H3/t11-,12-,22+,23+,26+,27-,29+,30-,32-,33+/m1/s1

InChIKey

PGPBQOOTKKWKJL-UPVXFFSBSA-N

Chemical Structure

2D Structure

CAS: 155213-40-4

CID: 135466899

Formula: C33H33NO13

MW: 651.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	651.6
XLogP3	1.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Exact Mass	651.19519011
Monoisotopic Mass	651.19519011
Topological Polar Surface Area	215 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1230
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19256026-01	Chrymutasin A
GTR19255790-01	Chrymutasin C
HY-N14086	Chrymutasin B

Chrymutasin A

Chemical Information

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