Aconicarchamine B

Catalog Number	ACM1275535675
CAS Number	1275535-67-5
IUPAC Name	[(1R,2R,3R,4S,5R,6R,7R,10R,15S)-6-Acetyloxy-13-ethyl-3,5,15-trihydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-5-yl]methyl benzoate
Molecular Weight	541.7
Molecular Formula	C31H43NO7
Canonical SMILES	CCN1CC2(CCC(C3(C1)C2CCC45C3C(C(CC4)C(C5OC(=O)C)(COC(=O)C6=CC=CC=C6)O)O)O)C
InChI	InChI=1S/C31H43NO7/c1-4-32-16-28(3)13-12-23(34)30(17-32)22(28)11-15-29-14-10-21(24(35)25(29)30)31(37,27(29)39-19(2)33)18-38-26(36)20-8-6-5-7-9-20/h5-9,21-25,27,34-35,37H,4,10-18H2,1-3H3/t21-,22+,23-,24-,25+,27+,28?,29-,30-,31-/m0/s1
InChI Key	XNEDEYYIWURZGN-JKIMNVFXSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	984
Exact Mass	541.30395271
Heavy Atom Count	39
Isomeric SMILES	CCN1C[C@@]23[C@H](CC[C@]45[C@H]2[C@H]([C@H](CC4)[C@]([C@@H]5OC(=O)C)(COC(=O)C6=CC=CC=C6)O)O)C(C1)(CC[C@@H]3O)C
Monoisotopic Mass	541.30395271
Topological Polar Surface Area	117Ų

Custom Q&A

What is the full chemical name of the compound Aconicarchamine B?

The full chemical name is 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-6,7,9,10-tetrol, 9-[(benzoyloxy)methyl]-1-ethyldodecahydro-3-methyl-, 10-acetate, (3R,6S,6aR,6bR,7R,8S,9R,10R,10aS,11R,11aR,13R)-.

What are the synonyms for Aconicarchamine B?

Aconicarchamine B is also known by the name 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-6,7,9,10-tetrol, 9-[(benzoyloxy)methyl]-1-ethyldodecahydro-3-methyl-, 10-acetate, (3R,6S,6aR,6bR,7R,8S,9R,10R,10aS,11R,11aR,13R)-.

What is the CAS number for Aconicarchamine B?

The CAS number is 1275535-67-5.

What is the molecular formula of Aconicarchamine B?

The molecular formula is C31H41NO7.

What is the molecular weight of Aconicarchamine B?

The molecular weight is 539.67.

What is the predicted melting point of Aconicarchamine B?

The predicted melting point is 184-185 °C.

What is the predicted boiling point of Aconicarchamine B?

The predicted boiling point is 701.6±60.0 °C.

What is the predicted density of Aconicarchamine B?

The predicted density is 1.36±0.1 g/cm3.

What is the predicted pKa value of Aconicarchamine B?

The predicted pKa value is 12.61±0.70.

Is Aconicarchamine B soluble in water based on the information provided?

There is no information provided about the solubility of Aconicarchamine B in water.

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