Products for Research Use Only
RegisterLogin

Macrocarpal C

CAT: 0926-SFA62853-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-SFA62853-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
142628-53-3
MDL Number
MFCD17214864
Smiles
CC (C) CC (C1=C (C (=C (C (=C1O) C=O) O) C=O) O) C2 (CCC3C2C4C (C4 (C) C) CCC3=C) C
Molecular Formula
C28H38O5
Molecular Weight
454.6 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Macrocarpal C

Macrocarpal C is a sesquiterpenoid.

CAS Number142628-53-3
PubChem CID454459
IUPAC Name5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Molecular FormulaC28H38O5
Molecular Weight454.6
XLogP7.2
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity767
SMILES
CC(C)C[C@@H](C1=C(C(=C(C(=C1O)C=O)O)C=O)O)[C@]2(CC[C@@H]3[C@@H]2[C@H]4[C@H](C4(C)C)CCC3=C)C
InChI
InChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3/t16-,19+,20-,22+,23+,28+/m0/s1
InChIKey
IEWHEHWXBLPFER-HUCVFKCKSA-N
Chemical Structure
2D Structure
2D structure of Macrocarpal C
CAS: 142628-53-3
CID: 454459
Formula: C28H38O5
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP37.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass454.27192431
Monoisotopic Mass454.27192431
Topological Polar Surface Area94.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HFA95190-01Macrocarpal A
WIA89921-01Macrocarpal N
EHA38853Macrocarpal H
SFA62854-01Macrocarpal E
CNA60197Macrocarpal L
EHA60347Macrocarpal J
CNA62265-01Macrocarpal O
SFA64771-01Macrocarpal D
EHA38854Macrocarpal I
TIA29059-01Macrocarpal K

Alternative Products

CatalogName
380742Macrocarpal A
HY-N3340-01Macrocarpal I
TN4475Macrocarpal C
HY-N3341Macrocarpal H
380751Macrocarpal L
TBZ1584Macrocarpal D
GTR19181110Macrocarpal K
GTR19181108Macrocarpal N
GTR19180340Macrocarpal O
CS-BT-00423Macrocarpal B

Popular Products