Omtriptolide

CAT: 0607-BA6450-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6450-10Size:10 mg

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CAS Number

195883-06-8

Form

A solid

Molecular Formula

C24H28O9

Molecular Weight

460.47

Shipping Conditions

Blue ice

Storage Conditions

4°C.

Chemical Information

YM 262

a water-soluble, semisynthetic derivative of PG490 (triptolide) purified from the Chinese herb Tripterygium Wilfordii; structure in first source

CAS Number	195883-06-8
PubChem CID	6918522
IUPAC Name	4-[[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl]oxy]-4-oxobutanoic acid
Molecular Formula	C24H28O9
Molecular Weight	460.5
XLogP	0.2
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	1050

SMILES

CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2OC(=O)CCC(=O)O)O7)COC6=O)C

InChI

InChI=1S/C24H28O9/c1-10(2)22-17(32-22)18-24(33-18)21(3)7-6-11-12(9-29-19(11)28)13(21)8-14-23(24,31-14)20(22)30-16(27)5-4-15(25)26/h10,13-14,17-18,20H,4-9H2,1-3H3,(H,25,26)/t13-,14-,17-,18-,20+,21-,22-,23+,24+/m0/s1

InChIKey

HROMYAWHLUOUPY-AHCCQAQQSA-N

Chemical Structure

2D Structure

CAS: 195883-06-8

CID: 6918522

Formula: C24H28O9

MW: 460.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	460.5
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	460.17333247
Monoisotopic Mass	460.17333247
Topological Polar Surface Area	127 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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
VHA88306-01	Omtriptolide
T33798-01	Omtriptolide sodium
A21322-50	Omtriptolide 50mg
A21322-1	Omtriptolide 1mg
HY-16362	Omtriptolide (sodium)
A21322-10	Omtriptolide 10mg
A21322-5	Omtriptolide 5mg
A21322-25	Omtriptolide 25mg

Omtriptolide

Chemical Information

Alternative Products

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