Spiranine

Catalog Number	ACM77156231
CAS Number	77156-23-1
Molecular Weight	469.5
InChI	InChI=1S/C23H35NO9/c1-6-13(4)23(30)18(25)19(26)32-14(5)22(29,12(2)3)20(27)31-11-15-7-9-24-10-8-16(17(15)24)33-21(23)28/h7,12-14,16-18,25,29-30H,6,8-11H2,1-5H3/t13,14-,16-,17-,18+,22+,23-/m1/s1
InChI Key	LYCHAEUHBIADIF-CRUIESPDSA-N
Purity	95%+
Complexity	827
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	469.23118169
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCC(C)[C@]1([C@H](C(=O)O[C@@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C(C)C)O)C)O)O
Monoisotopic Mass	469.23118169
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	143 Ų

Custom Q&A

What is the chemical formula of Spiranine?

The chemical formula of Spiranine is C23H35NO9.

What is the molecular weight of Spiranine?

The molecular weight of Spiranine is 469.53 g/mol.

What is the CAS number of Spiranine?

The CAS number of Spiranine is 77156-23-1.

What is the predicted boiling point of Spiranine?

The predicted boiling point of Spiranine is 606.2±55.0 °C.

What is the predicted density of Spiranine?

The predicted density of Spiranine is 1.32±0.1 g/cm3.

What is the predicted pka value of Spiranine?

The predicted pka value of Spiranine is 11.44±0.70.

From where has Spiraine been obtained?

Spiraine has been obtained from Parsonia spiralis Wall.

What is another name for 7H-(1,5,10)Trioxacyclotetradecino(7,8,9-gh)pyrrolizine-2,5,9(8H)-trion e,3,4,11,13,15,16,16a,16b-octahydro-3,4,8-trihydroxy-7-methyl-8-(1-met hylethyl)-3-(1-methylpropyl)-, (16aR,16bR)?

Another name for this compound is Spiranine.

Is Spiraine a pyrrolizidine alkaloid?

Yes, Spiraine is a pyrrolizidine alkaloid.

What is the stereochemistry of 7H-(1,5,10)Trioxacyclotetradecino(7,8,9-gh)pyrrolizine-2,5,9(8H)-trion e,3,4,11,13,15,16,16a,16b-octahydro-3,4,8-trihydroxy-7-methyl-8-(1-met hylethyl)-3-(1-methylpropyl)-, (16aR,16bR)?

The stereochemistry of this compound is (16aR,16bR).

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