Products for Research Use Only
RegisterLogin

Scutebata G

CAT: 0926-HYB18163-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-HYB18163-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1207181-63-2
MDL Number
MFCD20274621
Smiles
CC1=CCC (C2C1 (C (C (C3 (C2 (CCC4 (O3) CC (=O) OC4) C) C) OC (=O) C5=CC=CC=C5) OC (=O) C6=CN=CC=C6) C) OC (=O) C7=CC=CC=C7
Molecular Formula
C40H41NO9
Molecular Weight
679.8 g/mol
Controlled
No

Chemical Information

(3S,4'aR,5'S,6'R,6'aR,10'R,10'aS,10'bR)-5',10'-Bis(benzoyloxy)-1',2',4'a,5',6',6'a,9',10',10'a,10'b-decahydro-4'a,6'a,7',10'b-tetramethyl-5-oxospiro[furan-3(2H),3'-[3H]naphtho[2,1-b]pyran]-6'-yl 3-pyridinecarboxylate

Scutebata G has been reported in Scutellaria barbata with data available.

CAS Number1207181-63-2
PubChem CID46183619
IUPAC Name[(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,10-dibenzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
Molecular FormulaC40H41NO9
Molecular Weight679.8
XLogP6.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count50
Formal Charge0
Complexity1370
SMILES
CC1=CC[C@H]([C@H]2[C@]1([C@H]([C@@H]([C@]3([C@@]2(CC[C@]4(O3)CC(=O)OC4)C)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CN=CC=C6)C)OC(=O)C7=CC=CC=C7
InChI
InChI=1S/C40H41NO9/c1-25-17-18-29(47-34(43)26-12-7-5-8-13-26)31-37(2)19-20-40(22-30(42)46-24-40)50-39(37,4)33(49-35(44)27-14-9-6-10-15-27)32(38(25,31)3)48-36(45)28-16-11-21-41-23-28/h5-17,21,23,29,31-33H,18-20,22,24H2,1-4H3/t29-,31-,32+,33+,37-,38+,39+,40+/m1/s1
InChIKey
GREIZWACRDERNJ-RXCLYVCLSA-N
Chemical Structure
2D Structure
2D structure of (3S,4'aR,5'S,6'R,6'aR,10'R,10'aS,10'bR)-5',10'-Bis(benzoyloxy)-1',2',4'a,5',6',6'a,9',10',10'a,10'b-decahydro-4'a,6'a,7',10'b-tetramethyl-5-oxospiro[furan-3(2H),3'-[3H]naphtho[2,1-b]pyran]-6'-yl 3-pyridinecarboxylate
CAS: 1207181-63-2
CID: 46183619
Formula: C40H41NO9
MW: 679.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight679.8
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass679.27813189
Monoisotopic Mass679.27813189
Topological Polar Surface Area127 Ų
Heavy Atom Count50
Formal Charge0
Complexity1370
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HYB18157-01Scutebata A
HYB18162-01Scutebata F
HYB18161-01Scutebata E
HYB18159-01Scutebata C
HYB18158-01Scutebata B
VAC-00206-01A-A-A-Y-G-G-F-L
VAC-00445-01G-R-G-E-T-P
CAA57122-01Tutin, 20 μg/g acetonitrile solution
PG16965-01G-R-G-D-S-P
OR44887-01Rebaudioside G

Alternative Products

CatalogName
T126221-01Scutebata A
CS-BT-00580Scutebata E
TN4977Scutebata F
582587Scutebata B
HY-N1270Scutebata G
TBW01473Scutebata C

Popular Products