Buxbodine B

Catalog Number	ACM390362513
CAS Number	390362-51-3
Molecular Weight	399.6
InChI	InChI=1S/C26H41NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h10-11,16-19,21,28H,8-9,12-15H2,1-7H3/t16-,17-,18-,19-,21-,23+,24-,25+,26-/m0/s1
InChI Key	NZZQZWQHKWTQRO-YKKKOGGMSA-N
Purity	95%+
Complexity	786
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Exact Mass	399.313729551
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]([C@H]1[C@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)C=CC(=O)C5(C)C)C)C)O)N(C)C
Monoisotopic Mass	399.313729551
PhysicalState	Solid
Rotatable Bond Count	2
Topological Polar Surface Area	40.5 Ų

Custom Q&A

What is the product name of the chemical with CAS number 390362-51-3?

The product name is Buxbodine B.

What are some synonyms for Buxbodine B?

Some synonyms for Buxbodine B are 9,19-Cyclopregn-1-en-3-one, 20-(dimethylamino)-16-hydroxy-4,4,14-trimethyl-, (5α,16β,20S)-.

What is the molecular formula of Buxbodine B?

The molecular formula is C26H41NO2.

What is the molecular weight of Buxbodine B?

The molecular weight is 399.62.

What is the boiling point of Buxbodine B?

The boiling point is predicted to be 501.7±50.0 °C.

What is the density of Buxbodine B?

The density is predicted to be 1.11±0.1 g/cm3.

What is the predicted pka value of Buxbodine B?

The predicted pka value is 15.10±0.70.

How many chiral carbons are present in the molecule?

There are three chiral carbons in the molecule.

What is the predicted solubility of Buxbodine B in water?

The solubility of Buxbodine B in water is predicted to be low.

What are the potential hazards associated with Buxbodine B?

The potential hazards associated with Buxbodine B include irritation to the skin, eyes, and respiratory system.

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