Triacetylpseurotin A

Catalog Number	ACM77353572
CAS Number	77353-57-2
Synonyms	1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 9-(acetyloxy)-8-benzoyl-2-[1,2-bis(acetyloxy)-3-hexenyl]-8-methoxy-3-methyl-, [5S-[2(1R*,2R*,3Z),5α,8β,9β]]- (9CI)
Molecular Weight	557.5
InChI	InChI=1S/C28H31NO11/c1-7-8-14-20(37-16(3)30)22(38-17(4)31)21-15(2)23(33)27(40-21)25(39-18(5)32)28(36-6,29-26(27)35)24(34)19-12-10-9-11-13-19/h8-14,20,22,25H,7H2,1-6H3,(H,29,35)/b14-8-/t20-,22-,25+,27+,28+/m0/s1
InChI Key	AFWXQNFPAMXIOP-YLEXTUNJSA-N
Purity	95%+
Complexity	1140
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	557.1897108
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC/C=C\[C@@H]([C@@H](C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)C3=CC=CC=C3)OC)OC(=O)C)C)OC(=O)C)OC(=O)C
Monoisotopic Mass	557.1897108
PhysicalState	Powder
Rotatable Bond Count	13
Topological Polar Surface Area	161 Ų

Custom Q&A

What is the chemical name of Triacetylpseurotin A?

The chemical name of Triacetylpseurotin A is 1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 9-(acetyloxy)-8-benzoyl-2-[1,2-bis(acetyloxy)-3-hexenyl]-8-methoxy-3-methyl-, [5S-[2(1R*,2R*,3Z),5α,8β,9β]]-.

What is the CAS number for Triacetylpseurotin A?

The CAS number for Triacetylpseurotin A is 77353-57-2.

What is the chemical formula of Triacetylpseurotin A?

The chemical formula of Triacetylpseurotin A is C28H31NO11.

What is the molar mass of Triacetylpseurotin A?

The molar mass of Triacetylpseurotin A is 557.55 g/mol.

What is the predicted boiling point of Triacetylpseurotin A?

The predicted boiling point of Triacetylpseurotin A is 729.6±60.0 °C.

What is the predicted density of Triacetylpseurotin A?

The predicted density of Triacetylpseurotin A is 1.33±0.1 g/cm3.

What is the predicted pKa of Triacetylpseurotin A?

The predicted pKa of Triacetylpseurotin A is -4.94±0.70.

What are the synonyms for Triacetylpseurotin A?

The synonyms for Triacetylpseurotin A include Triacetylpseurotin A and 1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 9-(acetyloxy)-8-benzoyl-2-[1,2-bis(acetyloxy)-3-hexenyl]-8-methoxy-3-methyl-, [5S-[2(1R*,2R*,3Z),5α,8β,9β]]-.

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