Daphnilongeridine

Catalog Number	ACM922522154
CAS Number	922522-15-4
Molecular Weight	513.8
InChI	InChI=1S/C32H51NO4/c1-18(2)20-9-14-28(4)21-10-16-31-13-7-8-23(31)32(28,25(20)33-26(21)31)17-11-22-29(5)15-12-24(36-19(3)34)30(22,6)27(35)37-29/h18,20-27,33,35H,7-17H2,1-6H3/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29+,30+,31-,32+/m1/s1
InChI Key	VQBLZPKBXFEWGF-FCEQYDTKSA-N
Purity	95%+
Complexity	984
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	13
Exact Mass	513.38180911
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(C)[C@H]1CC[C@]2([C@@H]3CC[C@@]45[C@@H]3N[C@@H]1[C@@]2([C@@H]4CCC5)CC[C@H]6[C@@]7(CC[C@@H]([C@]6([C@@H](O7)O)C)OC(=O)C)C)C
Monoisotopic Mass	513.38180911
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	67.8 Ų

Custom Q&A

What is the product name of the compound with the CAS number 922522-15-4?

The product name is Daphnilongeridine.

What are some synonyms for Daphnilongeridine?

Some synonyms for Daphnilongeridine are 6-Oxabicyclo[3.2.1]octane-2,7-diol and 8-[2-[(3aR,4R,5aS,6R,9S,9aR,9bR,10S)-decahydro-9-methyl-6-(1-methylethyl)-3a,4,9-[1]propanyl[3]ylidene-3aH-cyclopenta[c]quinolin-9a(4H)-yl]ethyl]-1,5-dimethyl-, 2-acetate, (1S,2S,5S,7R,8R)-rel-(+)-.

What is the molecular formula of Daphnilongeridine?

The molecular formula is C32H51NO4.

What is the molecular weight of Daphnilongeridine?

The molecular weight is 513.76.

What is the predicted boiling point of Daphnilongeridine?

The predicted boiling point is 581.4±40.0 °C.

In what forms is Daphnilongeridine soluble?

Daphnilongeridine is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What is the predicted pka of Daphnilongeridine?

The predicted pka is 12.93±0.70.

What is the density of Daphnilongeridine?

The density is 1.16±0.1 g/cm3.

What is the primary usage of Daphnilongeridine?

Daphnilongeridine shows cytotoxicity against several tumor cell lines.

What is the molecular structure of Daphnilongeridine?

The molecular structure is 2-acetate, (1S,2S,5S,7R,8R)-rel-(+)-.

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