Stenophyllol B

CAT: 0931-T81095-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T81095-02Size:50 mg

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CAS Number

208834-81-5

Bioactivity

Stenophyllol B (compound 4), a trimeric stilbene characterized by bicyclic and bridged tricyclic structures, was initially identified in the Dipterocarpaceae family, with occurrences in various species of the genera Hopea, Neobalanocarpus, Shorea, Stemonoporus, and Vateri [1].

Smiles

OC=1C=C2[C@]3([C@]([C@@H](C=4C([C@@]5(C2=C(O[C@H]5C6=CC=C(O)C=C6)C1)[H])=CC(O)=CC4O)C7=CC=C(O)C=C7)(C=8C([C@@H]3C9=CC=C(O)C=C9)=C(O)C=C(O)C8)[H])[H]

Molecular Formula

C42H32O9

Molecular Weight

680.7

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Stenophyllol B

Stenophyllol B has been reported in Sophora stenophylla and Vatica pauciflora with data available.

CAS Number	208834-81-5
PubChem CID	10794663
IUPAC Name	(2S,3S,10R,11R,18R,19R)-3,11,19-tris(4-hydroxyphenyl)-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosa-1(25),4(9),5,7,12(17),13,15,21,23-nonaene-5,7,13,15,23-pentol
Molecular Formula	C42H32O9
Molecular Weight	680.7
XLogP	6.8
Topological Polar Surface Area	171
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	51
Formal Charge	0
Complexity	1190

SMILES

C1=CC(=CC=C1[C@@H]2[C@@H]3[C@H]([C@@H](C4=C(C=C(C=C4O)O)[C@H]5[C@@H](OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC(=C9)O)O)O

InChI

InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H/t34-,35+,39-,40+,41+,42-/m0/s1

InChIKey

UXHSAOFTHSNXMK-RHTQMFJXSA-N

Chemical Structure

2D Structure

CAS: 208834-81-5

CID: 10794663

Formula: C42H32O9

MW: 680.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	680.7
XLogP3	6.8
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	680.20463259
Monoisotopic Mass	680.20463259
Topological Polar Surface Area	171 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1190
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-N11977-01	Stenophyllol B

Stenophyllol B

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