Carmichaenine D

Catalog Number	ACM2065228626
CAS Number	2065228-62-6
Molecular Weight	513.6
InChI	InChI=1S/C29H39NO7/c1-3-30-13-27(14-31)10-9-19(32)29-17-11-16-18(36-2)12-28(35,21(25(29)30)22(33)24(27)29)20(17)23(16)37-26(34)15-7-5-4-6-8-15/h4-8,16-25,31-33,35H,3,9-14H2,1-2H3/t16-,17-,18+,19+,20-,21?,22+,23+,24-,25-,27+,28-,29+/m1/s1
InChI Key	DGKLDJINLBMVKG-UCMVTQMMSA-N
Purity	95%+
Complexity	941
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Exact Mass	513.27265258
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H](C([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=CC=C7)OC)O)O)O)CO
Monoisotopic Mass	513.27265258
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	120 Ų

Custom Q&A

What is the pka value of Carmichaenine D?

The pka value of Carmichaenine D is predicted to be 13.11±0.70.

What are some synonyms for Carmichaenine D?

Some synonyms for Carmichaenine D are Aconitane-1,6,8,14-tetrol, 20-ethyl-4-(hydroxymethyl)-16-methoxy-, 14-benzoate, (1α,6α,14α,16β)-.

What is the CAS number for Carmichaenine D?

The CAS number for Carmichaenine D is 2065228-62-6.

What is the molecular formula of Carmichaenine D?

The molecular formula of Carmichaenine D is C29H39NO7.

What is the molecular weight of Carmichaenine D?

The molecular weight of Carmichaenine D is 513.63.

What is the boiling point of Carmichaenine D?

The boiling point of Carmichaenine D is predicted to be 686.6±55.0 °C.

What is the density of Carmichaenine D?

The density of Carmichaenine D is predicted to be 1.41±0.1 g/cm3.

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