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Benzoylgomisin H

CAT: 0931-TN3493Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3493Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66056-23-3
Target
Others
Related Pathways
Others
Bioactivity
Benzoylgomisin H is a natural product from Schizandra chinensis.
Smiles
COc1cc2CC(C)(O)C(C)Cc3cc(OC)c(OC)c(OC(=O)c4ccccc4)c3-c2c(OC)c1OC
Molecular Formula
C30H34O8
Molecular Weight
522.594
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzoylgomisin H

benzoylgomisin h has been reported in Schisandra chinensis with data available.

CAS Number66056-23-3
PubChem CID14992069
IUPAC Name[(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
Molecular FormulaC30H34O8
Molecular Weight522.6
XLogP5.5
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity771
SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@]1(C)O)OC)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC
InChI
InChI=1S/C30H34O8/c1-17-13-19-14-21(33-3)26(36-6)28(38-29(31)18-11-9-8-10-12-18)23(19)24-20(16-30(17,2)32)15-22(34-4)25(35-5)27(24)37-7/h8-12,14-15,17,32H,13,16H2,1-7H3/t17-,30-/m0/s1
InChIKey
AZQOQICAWOAGEN-ZOKDDAQRSA-N
Chemical Structure
2D Structure
2D structure of Benzoylgomisin H
CAS: 66056-23-3
CID: 14992069
Formula: C30H34O8
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass522.22536804
Monoisotopic Mass522.22536804
Topological Polar Surface Area92.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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