Hastacine

Catalog Number	ACM20361777
CAS Number	20361-77-7
Synonyms	(1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione
Molecular Weight	337.4
InChI	InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11,13-,14-,15+,18/m1/s1
InChI Key	BTHCJHQOYFUIMG-ZEDKSUSISA-N
Purity	95%+
Complexity	560
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	337.18892296
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C/1\CC(C(C(=O)OC[C@H]2CCN3[C@@H]2[C@@H](CC3)OC1=O)(C)O)C
Monoisotopic Mass	337.18892296
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is the product name of (1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione?

The product name is Hastacine.

What are some synonyms for (1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione?

Some synonyms include Hastacine and [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidenedodecahydro-6-hydroxy-5,6-dimethyl-, (3E,9aS,14aR,14bS)-.

What is the CAS number of (1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione?

The CAS number is 20361-77-7.

What is the molecular formula of (1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione?

The molecular formula is C18H27NO5.

What is the molecular weight of (1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione?

The molecular weight is 337.41.

What is the predicted boiling point of (1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione?

The predicted boiling point is 539.6±50.0 °C.

What is the predicted density of (1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione?

The predicted density is 1.22±0.1 g/cm3.

What is the predicted pka value of (1α,8β,12ξ,13ξ,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione?

The predicted pka value is 12.83±0.40.

What are some other chemical properties of Hastacine?

Some other chemical properties include a boiling point of 539.6±50.0 °C, a density of 1.22±0.1 g/cm3, and a predicted pka of 12.83±0.40.

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