Yunaconitoline

Catalog Number	ACM259099257
CAS Number	259099-25-7
Synonyms	Aconitan-3-one, 8-(acetyloxy)-1,2-didehydro-20-ethyl-13-hydroxy-6,16-dimethoxy-14-[(4-methoxybenzoyl)oxy]-4-(methoxymethyl)-, (6α,14α,16β)- (9CI)
Molecular Weight	625.7
InChI	InChI=1S/C34H43NO10/c1-7-35-16-31(17-40-3)22(37)12-13-32-21-14-33(39)23(42-5)15-34(45-18(2)36,25(28(32)35)26(43-6)27(31)32)24(21)29(33)44-30(38)19-8-10-20(41-4)11-9-19/h8-13,21,23-29,39H,7,14-17H2,1-6H3/t21-,23+,24-,25,26+,27-,28-,29-,31+,32-,33+,34-/m1/s1
InChI Key	SHTGLCWQWPWURU-LDZUBTFUSA-N
Purity	95%+
Complexity	1270
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Exact Mass	625.28869657
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCN1C[C@]2([C@H]3[C@H](C4[C@@H]1[C@]3(C=CC2=O)[C@@H]5C[C@@]6([C@H](C[C@]4([C@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)OC)O)OC)COC
Monoisotopic Mass	625.28869657
PhysicalState	Powder
Rotatable Bond Count	11
Topological Polar Surface Area	130 Ų

Custom Q&A

What is the chemical formula of Yunaconitoline?

The chemical formula of Yunaconitoline is C34H43NO10.

What is the molar mass of Yunaconitoline?

The molar mass of Yunaconitoline is 625.72 g/mol.

What is the CAS number of Yunaconitoline?

The CAS number of Yunaconitoline is 259099-25-7.

What are the synonyms of Yunaconitoline?

One of the synonyms of Yunaconitoline is Aconitan-3-one, 8-(acetyloxy)-1,2-didehydro-20-ethyl-13-hydroxy-6,16-dimethoxy-14-[(4-methoxybenzoyl)oxy]-4-(methoxymethyl)-, (6α,14α,16β)- (9CI).

What is the predicted boiling point of Yunaconitoline?

The predicted boiling point of Yunaconitoline is 711.5±60.0 °C.

What is the predicted density of Yunaconitoline?

The predicted density of Yunaconitoline is 1.35±0.1 g/cm3.

What is the predicted pka of Yunaconitoline?

The predicted pka of Yunaconitoline is 12.82±0.70.

How many oxygen atoms are in the molecular formula of Yunaconitoline?

There are 10 oxygen atoms in the molecular formula of Yunaconitoline.

What is the predicted molecular weight of Yunaconitoline?

The predicted molecular weight of Yunaconitoline is 625.72 g/mol.

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