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Hopeaphenol

CAT: 0804-HY-142039Size: InquireDry Ice: NoHazardous: No
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CAS Number
388582-37-4
UNSPSC Description
Hopeaphenol is a natural product[1].
Target Antigen
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hopeaphenol.html
Smiles
OC1=C2[C@H](C3=CC=C(C=C3)O)[C@]([C@]4([H])[C@@H](C5=CC=C(C=C5)O)C6=C(O)C=C(O)C=C6[C@@]7([H])C8=C4C=C(C=C8O[C@@H]7C9=CC=C(C=C9)O)O)([H])C%10=C%11[C@]([C@@H](C%12=CC=C(C=C%12)O)OC%11=CC(O)=C%10)([H])C2=CC(O)=C1
Molecular Weight
906.93
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

(1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol

YQQUILZPDYJDQJ-QWJFNKQSSA-N has been reported in Dipterocarpus grandiflorus and Vitis chunganensis with data available.

CAS Number388582-37-4
PubChem CID21669381
IUPAC Name(1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
Molecular FormulaC56H42O12
Molecular Weight906.9
XLogP9.1
Topological Polar Surface Area221
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count68
Formal Charge0
Complexity1580
SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)[C@@H]7[C@H](C8=C(C=C(C=C8O)O)[C@@H]9[C@H](OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O
InChI
InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51-,52-,53-,54-,55+,56+/m0/s1
InChIKey
YQQUILZPDYJDQJ-QWJFNKQSSA-N
Chemical Structure
2D Structure
2D structure of (1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CAS: 388582-37-4
CID: 21669381
Formula: C56H42O12
MW: 906.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight906.9
XLogP39.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass906.26762677
Monoisotopic Mass906.26762677
Topological Polar Surface Area221 Ų
Heavy Atom Count68
Formal Charge0
Complexity1580
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

Alternative Products

CatalogName
TN6233-01(+) -Hopeaphenol
MBS5788322Hopeaphenol

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