Tirandamycin B

Catalog Number	ACM60587146
CAS Number	60587-14-6
Molecular Weight	433.5
InChI	InChI=1S/C22H27NO8/c1-10(5-6-13(25)15-14(26)8-23-20(15)28)7-11(2)17-12(3)18-16(27)19-22(9-24,31-19)21(4,29-17)30-18/h5-7,11-12,17-19,24-25H,8-9H2,1-4H3,(H,23,28)/b6-5+,10-7+,15-13+
InChI Key	LYJKREGDQDJIDC-BHHJBWQLSA-N
Purity	95%+
Complexity	936
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	433.17366682
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isomeric SMILES	CC1C2C(=O)C3C(O3)(C(O2)(OC1C(C)/C=C(\C)/C=C/C(=C\4/C(=O)CNC4=O)/O)C)CO
Monoisotopic Mass	433.17366682
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	135 Ų

Custom Q&A

What is the chemical structure of Tirandamycin B?

The chemical structure of Tirandamycin B is C22H27NO8.

What is the Reaxys ID of Tirandamycin B?

The Reaxys ID of Tirandamycin B is 4848523.

What is the CAS number of Tirandamycin B?

The CAS number of Tirandamycin B is 60587-14-6.

What is the molecular formula of Tirandamycin B?

The molecular formula of Tirandamycin B is C22H27NO8.

What is the molar mass of Tirandamycin B?

The molar mass of Tirandamycin B is 433.45 g/mol.

What is the IUPAC name of Tirandamycin B?

The IUPAC name of Tirandamycin B is 2,4-Pyrrolidinedione, 3-[(2E,4E,6R)-1-hydroxy-6-[(1S,2S,4R,6S,7R,8R)-2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]dec-8-yl]-4-methyl-2,4-heptadienylidene]-, (3E)-.

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