Isokadsurenin D

CAT: 0926-XFA97635-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-XFA97635-01Size:10 mg

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CAS Number

147976-35-0

MDL Number

MFCD28009425

Smiles

CC1C (C2C (=O) C (=CC1 (C2=O) CC=C) OC) C3=CC (=C (C=C3) OC) OC

Molecular Formula

C21H24O5

Molecular Weight

356.4 g/mol

Controlled

Chemical Information

CID 10089616

CAS Number	147976-35-0
PubChem CID	10089616
IUPAC Name	(1R,5R,6R,7R)-7-(3,4-dimethoxyphenyl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
Molecular Formula	C21H24O5
Molecular Weight	356.4
XLogP	3.6
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	624

SMILES

C[C@@H]1[C@H]([C@H]2C(=O)C(=C[C@@]1(C2=O)CC=C)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24O5/c1-6-9-21-11-16(26-5)19(22)18(20(21)23)17(12(21)2)13-7-8-14(24-3)15(10-13)25-4/h6-8,10-12,17-18H,1,9H2,2-5H3/t12-,17+,18+,21+/m1/s1

InChIKey

IYEJIWMVJJRSMG-ZUJDROPSSA-N

Chemical Structure

2D Structure

CAS: 147976-35-0

CID: 10089616

Formula: C21H24O5

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	356.16237386
Monoisotopic Mass	356.16237386
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	624
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FI74454-01	Isokadsuranin
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
FF111356-01	Fmoc-D-Pro-D-Pro-D-Pro-D-Pro-OH
NLA84687-01	D-Arabinose-2-D
UGA78376-01	D-Ribose-3-D

Catalog	Name
HY-N3477	Isokadsurenin D