Epistephamiersine

CAT: 0926-CCA38915-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-CCA38915-01Size:1 mg

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CAS Number

52389-15-8

MDL Number

MFCD20260883

Smiles

CN1CCC23C14CC (C5=C2C (=C (C=C5) OC) OC) OC4 (C (C (=O) C3) OC) OC

Molecular Formula

C21H27NO6

Molecular Weight

389.4 g/mol

Controlled

Chemical Information

Epistephamiersine

(1S,8S,10S,11R,12S)-3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-one has been reported in Stephania japonica with data available.

CAS Number	52389-15-8
PubChem CID	91895297
IUPAC Name	(1S,8S,10S,11R,12S)-3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-one
Molecular Formula	C21H27NO6
Molecular Weight	389.4
XLogP	0.8
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	673

SMILES

CN1CC[C@@]23[C@]14C[C@@H](C5=C2C(=C(C=C5)OC)OC)O[C@]4([C@H](C(=O)C3)OC)OC

InChI

InChI=1S/C21H27NO6/c1-22-9-8-19-10-13(23)18(26-4)21(27-5)20(19,22)11-15(28-21)12-6-7-14(24-2)17(25-3)16(12)19/h6-7,15,18H,8-11H2,1-5H3/t15-,18-,19-,20-,21-/m0/s1

InChIKey

UTTZNWQGZHNUIG-JMMIECQRSA-N

Chemical Structure

2D Structure

CAS: 52389-15-8

CID: 91895297

Formula: C21H27NO6

MW: 389.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	389.4
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	389.18383758
Monoisotopic Mass	389.18383758
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	673
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
380222	Epistephamiersine

Epistephamiersine

Chemical Information

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