Chrymutasin C

CAT: 0013-GTR19255790-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19255790-01Size:10 mg

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Description

Chrymutasin C is a glycoside antitumor antibiotic with cytotoxic properties.

CAS Number

155232-80-7

Field of Research

Infectious Disease & Virology

Smiles

O=C1C=2C3=C (C=4C1=CC=CC4O[C@H]5[C@H] (O[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@@H] (O) [C@@H] (O) [C@@H] (C) O5) OC (=O) C=8C3=C (C (=O) C2N) C=CC8C

Molecular Formula

C39H43NO17

Molecular Weight

797.755

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Chrymutasin C

Chrymutasin C is an oligosaccharide.

CAS Number	155232-80-7
PubChem CID	135474558
IUPAC Name	3-[(2S,3R,4S,5R,6R)-3-[(2R,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-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	C39H43NO17
Molecular Weight	797.8
XLogP	0.1
Topological Polar Surface Area	273
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	7
Heavy Atom Count	57
Formal Charge	0
Complexity	1520

SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)C(=O)C(=N)C6=C4O)C)O)O)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)O)OC)O)O)O

InChI

InChI=1S/C39H43NO17/c1-11-9-10-16-20-18(11)36(49)55-32-19-15(27(44)22(21(20)32)23(40)28(16)45)7-6-8-17(19)54-38-34(29(46)24(41)12(2)52-38)57-39-35(30(47)25(42)13(3)53-39)56-37-31(48)33(50-5)26(43)14(4)51-37/h6-10,12-14,24-26,29-31,33-35,37-44,46-48H,1-5H3/t12-,13-,14-,24+,25+,26+,29+,30+,31-,33+,34-,35-,37-,38+,39-/m1/s1

InChIKey

YKYXBUQMLKPOIE-UFVMVPLKSA-N

Chemical Structure

2D Structure

CAS: 155232-80-7

CID: 135474558

Formula: C39H43NO17

MW: 797.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	797.8
XLogP3	0.1
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	7
Exact Mass	797.25309890
Monoisotopic Mass	797.25309890
Topological Polar Surface Area	273 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1520
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TN10292-01	Chrymutasin A
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TN10504-01	Chrymutasin C

Chrymutasin C

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