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Forrestin A (rabdosia)

CAT: 0804-HY-N3901Size: 1 EachDry Ice: NoHazardous: No
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Description
Forrestin A (rabdosia) is a Diterpenoids product that can be isolated from the herbs of Rabdosia amethystoides[1].
CAS Number
152175-76-3
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/forrestin-a-rabdosia.html
Smiles
CC(O[C@@H]1[C@]2([C@@H]3OC(C)=O)[C@]([C@H](C[C@](C3=C)([H])C2)OC(C)=O)([H])[C@@]4(C)[C@](C(C)([C@@H](O)C[C@@H]4OC(C)=O)C)([H])[C@H]1OC(C)=O)=O
Molecular Formula
C30H42O11
Molecular Weight
578.65
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Forrestin A

(1R,2R,3R,4S,6S,8S,9R,10R,11S,13S,15R)-2,3,8,11-tetrakis(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate has been reported in Isodon forrestii with data available.

CAS Number152175-76-3
PubChem CID91884971
IUPAC Name[(1R,2R,3R,4S,6S,8S,9R,10R,11S,13S,15R)-2,3,8,15-tetraacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Molecular FormulaC30H42O11
Molecular Weight578.6
XLogP2.3
Topological Polar Surface Area152
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity1160
SMILES
CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@H]1[C@]4([C@H](C[C@@H](C([C@@H]4[C@H]([C@@H]3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)[C@@H](C2=C)OC(=O)C
InChI
InChI=1S/C30H42O11/c1-13-19-10-20(37-14(2)31)24-29(9)22(38-15(3)32)11-21(36)28(7,8)25(29)23(39-16(4)33)27(41-18(6)35)30(24,12-19)26(13)40-17(5)34/h19-27,36H,1,10-12H2,2-9H3/t19-,20+,21+,22+,23-,24-,25+,26-,27+,29-,30-/m1/s1
InChIKey
IBZKZJFIBDPMSV-XKIVFHDSSA-N
Chemical Structure
2D Structure
2D structure of Forrestin A
CAS: 152175-76-3
CID: 91884971
Formula: C30H42O11
MW: 578.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.6
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass578.27271215
Monoisotopic Mass578.27271215
Topological Polar Surface Area152 Ų
Heavy Atom Count41
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N7230Rabdosin A
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HY-N6880-01Rabdosiin
HY-N6880A-01(-) -Rabdosiin

Alternative Products

CatalogName
TN4072Forrestin A
GTR19178272Rabdosia acid A

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