2-Desoxy-4-epi-pulchellin

CAT: 0926-XEA87203-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-XEA87203-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

122872-03-1

MDL Number

MFCD20260360

Smiles

CC1CC2C (CC3 (C1CCC3O) C) C (=C) C (=O) O2

Molecular Formula

C15H22O3

Molecular Weight

250.33 g/mol

Controlled

Chemical Information

2-Desoxy-4-epi-pulchellin

2-Desoxy-4-epi-pulchellin has been reported in Inula anatolica, Carpesium faberi, and Carpesium abrotanoides with data available.

CAS Number	122872-03-1
PubChem CID	10399864
IUPAC Name	(3aS,5R,5aS,8S,8aS,9aR)-8-hydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
Molecular Formula	C15H22O3
Molecular Weight	250.33
XLogP	2.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	403

SMILES

C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1CC[C@@H]3O)C)C(=C)C(=O)O2

InChI

InChI=1S/C15H22O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13+,15+/m1/s1

InChIKey

BOPADYWRUULRBD-MBICNOSFSA-N

Chemical Structure

2D Structure

CAS: 122872-03-1

CID: 10399864

Formula: C15H22O3

MW: 250.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.33
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	250.15689456
Monoisotopic Mass	250.15689456
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	403
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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
MBS3613086-01	2-Desoxy-4-epi-pulchellin
GTR19193011	Pulchellin
TRC-M396308-25MG	Desoxy Ilaprazole
TRC-D231590-100MG	2-Deoxo-3-desoxy Efavirenz
CS-EO-03926	Desoxy-Trimethoxybenzamide HCl
448082-01	Efavirenz 3-Desoxy
HY-W278861S-01	Desoxy-Mequindox-13C6
163698	Desoxy-Palonosetron Dihydrochloride
TRC-D528845-50MG	4-epi-Dolutegravir
T83319-01	4-epi-Withaferin A