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Nujiangefolin A

CAT: 0013-GTR19179689Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179689Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nujiangefolin A
CAS Number
1393644-51-3
Smiles
CC (C) ([C@@H] (CC=C (C) C) C[C@] (CC (CCC (C) =C) C (C) =C) (C1=O) C2=O) [C@]1 (CC=C (C) C) C (Oc (cc1O) c3cc1O) =C2C3=O
Molecular Formula
C38H48O6
Molecular Weight
600.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nujiangefolin A
CAS Number1393644-51-3
PubChem CID66553664
IUPAC Name(1R,13R,15S)-6,7-dihydroxy-16,16-dimethyl-1,15-bis(3-methylbut-2-enyl)-13-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)-3-oxatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),4,6,8-tetraene-10,12,17-trione
Molecular FormulaC38H48O6
Molecular Weight600.8
XLogP9.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity1330
SMILES
CC(=CC[C@H]1C[C@]2(C(=O)C3=C([C@](C2=O)(C1(C)C)CC=C(C)C)OC4=CC(=C(C=C4C3=O)O)O)CC(CCC(=C)C)C(=C)C)C
InChI
InChI=1S/C38H48O6/c1-21(2)11-13-25(24(7)8)19-37-20-26(14-12-22(3)4)36(9,10)38(35(37)43,16-15-23(5)6)34-31(33(37)42)32(41)27-17-28(39)29(40)18-30(27)44-34/h12,15,17-18,25-26,39-40H,1,7,11,13-14,16,19-20H2,2-6,8-10H3/t25?,26-,37-,38+/m0/s1
InChIKey
GNNBHBRZPVSHKB-IVQHQZAFSA-N
Chemical Structure
2D Structure
2D structure of Nujiangefolin A
CAS: 1393644-51-3
CID: 66553664
Formula: C38H48O6
MW: 600.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.8
XLogP39.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass600.34508925
Monoisotopic Mass600.34508925
Topological Polar Surface Area101 Ų
Heavy Atom Count44
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5787867Nujiangefolin A

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