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Gomisin D

CAT: 0127-BUP03671-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03671-05Size:50 mg
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CAS Number
60546-10-3
Purity
=98%
Smiles
COc1cc2C3OC(=O)C(C)(O)C(C)COc4c5OCOc5cc(CC(C)C3(C)O)c4-c2c(OC)c1OC

Chemical Information

Gomisin D

CID 5317799 has been reported in Kadsura coccinea and Schisandra chinensis with data available.

CAS Number60546-10-3
PubChem CID5317799
IUPAC Name(11R,12R,15S,24S,25S)-12,25-dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one
Molecular FormulaC28H34O10
Molecular Weight530.6
XLogP3.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity871
SMILES
C[C@H]1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5[C@@H]([C@@]1(C)O)OC(=O)[C@]([C@@H](CO4)C)(C)O)OC)OC)OC)OCO3
InChI
InChI=1S/C28H34O10/c1-13-8-15-9-18-22(37-12-36-18)24-19(15)20-16(10-17(32-5)21(33-6)23(20)34-7)25(27(13,3)30)38-26(29)28(4,31)14(2)11-35-24/h9-10,13-14,25,30-31H,8,11-12H2,1-7H3/t13-,14+,25-,27-,28+/m0/s1
InChIKey
VLLFEMVDMFTBHG-KMIFWYFFSA-N
Chemical Structure
2D Structure
2D structure of Gomisin D
CAS: 60546-10-3
CID: 5317799
Formula: C28H34O10
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass530.21519728
Monoisotopic Mass530.21519728
Topological Polar Surface Area122 Ų
Heavy Atom Count38
Formal Charge0
Complexity871
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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