Spirorenone

CAT: 0127-BUP21204-06Size: 500 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP21204-06Size:500 mg

Selected

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

Quick Request Actions

CAS Number

74220-07-8

Synonyms

INN

Purity

=98%

Smiles

C[C@@]12[C@]3([C@@]4([C@]([C@]1([C@]5([C@](CC2)([C@]6(C)C([C@]7([C@@]5(C7)[H])[H])=CC(=O)C=C6)[H])[H])[H])(C4)[H])[H])OC(=O)CC3

Chemical Information

(2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-3',4',6,7,8,9,11,12,13,14,15,16,20,21-Tetradecahydro-10,13-dimethylspiro(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3,5'(10H)-dione

structure given in first source

CAS Number	74220-07-8
PubChem CID	68923
IUPAC Name	(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadeca-5,8-diene-15,5'-oxolane]-2',7-dione
Molecular Formula	C24H28O3
Molecular Weight	364.5
XLogP	3.7
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	27
Formal Charge	0
Complexity	869

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]4C[C@@H]4[C@@]25CCC(=O)O5)[C@H]6C[C@H]6C7=CC(=O)C=C[C@]37C

InChI

InChI=1S/C24H28O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h3,6,9,13-16,18,20-21H,4-5,7-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1

InChIKey

NZUIUYWHFPQZBH-HXCATZOESA-N

Chemical Structure

2D Structure

CAS: 74220-07-8

CID: 68923

Formula: C24H28O3

MW: 364.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	364.5
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	364.20384475
Monoisotopic Mass	364.20384475
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	869
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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
GTR19211184-01	Spirorenone

Spirorenone

Chemical Information

Alternative Products

Popular Products