Tirandalydigin

Catalog Number	ACM114118911
CAS Number	114118-91-1
Molecular Weight	401.5
InChI	InChI=1S/C22H27NO6/c1-12(5-6-15(24)18-16(25)10-23-20(18)26)9-13(2)19-14(3)17-7-8-22(11-27-22)21(4,28-17)29-19/h5-9,13-14,17,19,24H,10-11H2,1-4H3,(H,23,26)/b6-5+,12-9+,18-15-/t13-,14+,17-,19-,21-,22/m1/s1
InChI Key	LTYHWFXVSQHTQH-BWPJEIAHSA-N
Purity	95%+
Complexity	871
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	401.18383758
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isomeric SMILES	C[C@H]1[C@H]2C=CC3(CO3)[C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/4\C(=O)CNC4=O)/O)C
Monoisotopic Mass	401.18383758
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	97.4 Ų

Custom Q&A

What is the product name of the compound with the synonym tirandalydigin?

The product name is tirandalydigin.

What are the synonyms for tirandalydigin?

The synonyms are tirandalydigin; 2,4-Pyrrolidinedione, 3-[(2E,4E,6R)-6-[(1R,2'R,3R,4S,5R)-1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxiran]-3-yl]-1-hydroxy-4-methyl-2,4-heptadien-1-ylidene]-, (3E)-

What is the CAS number for tirandalydigin?

The CAS number is 114118-91-1.

What is the molecular formula of tirandalydigin?

The molecular formula is C22H27NO6.

What is the molecular weight of tirandalydigin?

The molecular weight is 401.45.

What is the chemical structure of tirandalydigin?

The chemical structure is 2,4-Pyrrolidinedione, 3-[(2E,4E,6R)-6-[(1R,2'R,3R,4S,5R)-1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxiran]-3-yl]-1-hydroxy-4-methyl-2,4-heptadien-1-ylidene]-, (3E)-.

What is the IUPAC name for tirandalydigin?

The IUPAC name is 3-[(2E,4E,6R)-6-[(1R,2'R,3R,4S,5R)-1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxiran]-3-yl]-1-hydroxy-4-methyl-2,4-heptadien-1-ylidene]-2,4-pyrrolidinedione.

How many atoms are in the molecular formula of tirandalydigin?

There are 22 carbon atoms, 27 hydrogen atoms, 1 nitrogen atom, and 6 oxygen atoms in the molecular formula.

What is the stereochemistry of tirandalydigin?

The stereochemistry includes E/Z isomerism and spirocyclic structures in the compound.

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