Yamataimine

Catalog Number	ACM67113693
CAS Number	67113-69-3
Synonyms	(12S,15S)-15,20-Dihydro-12-hydroxysenecionan-11,16-dione
Molecular Weight	337.4
InChI	InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h5,11-12,14-15,22H,4,6-10H2,1-3H3/t11-,12+,14-,15-,18+/m1/s1
InChI Key	RRIMIQDGHHBXCP-BXPDPKNNSA-N
Purity	95%+
Complexity	560
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	337.18892296
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC[C@H]1C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
Monoisotopic Mass	337.18892296
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is the chemical formula for YAMATAIMINE?

The chemical formula for YAMATAIMINE is C18H27NO5.

What is the molecular weight of YAMATAIMINE?

The molecular weight of YAMATAIMINE is 337.41.

What is the boiling point of YAMATAIMINE?

The boiling point of YAMATAIMINE is predicted to be 549.2±50.0 °C.

What is the density of YAMATAIMINE?

The density of YAMATAIMINE is predicted to be 1.22±0.1 g/cm3.

What is the pka value of YAMATAIMINE?

The pka value of YAMATAIMINE is predicted to be 12.92±0.60.

Where does YAMATAIMINE occur naturally?

YAMATAIMINE occurs in the methanolic extract of Cacalia yatabei roots.

How does YAMATAIMINE crystallize?

YAMATAIMINE forms colourless needles when crystallized from Me2CO-light petroleum.

What is the specific rotation of YAMATAIMINE?

The specific rotation of YAMATAIMINE is [α]D +63.6°(EtOH).

What are the synonyms for YAMATAIMINE?

The synonyms for YAMATAIMINE are YAMATAIMINE and (12S,15S)-15,20-Dihydro-12-hydroxysenecionan-11,16-dione.

What is the CAS number for YAMATAIMINE?

The CAS number for YAMATAIMINE is 67113-69-3.

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