Products for Research Use Only
RegisterLogin

Eburicone

CAT: 0931-T25357-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T25357-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
118492-82-3
Target
Others
Related Pathways
Others
Bioactivity
Eburicone is a lanosterane-type triterpenoid which can be isolated from balsam fir and has antitumor activity.
Smiles
C[C@@]12C3=C([C@@]4(C)[C@](C)(CC3)[C@@]([C@@H](CCC(C(C)C)=C)C)(CC4)[H])CC[C@]1(C(C)(C)C(=O)CC2)[H]
Molecular Formula
C31H50O
Molecular Weight
438.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Eburicone has been reported in Botrytis cinerea and Neolitsea sericea with data available.

CAS Number118492-82-3
PubChem CID189565
IUPAC Name(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC31H50O
Molecular Weight438.7
XLogP9.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity827
SMILES
C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C31H50O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,22-23,26H,3,10-19H2,1-2,4-9H3/t22-,23-,26?,29-,30-,31+/m1/s1
InChIKey
HCVPIOTWCPCBAF-XCRJKQHMSA-N
Chemical Structure
2D Structure
2D structure of (10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS: 118492-82-3
CID: 189565
Formula: C31H50O
MW: 438.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.7
XLogP39.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass438.386166214
Monoisotopic Mass438.386166214
Topological Polar Surface Area17.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity827
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T124386-01Eburicol
TN1599-01Eburicoic acid

Alternative Products

CatalogName
MBS5775088Eburicone

Popular Products