3-Hydroxy-8,9-methylenedioxypterocarpene

CAT: 0931-TN2944Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN2944Size:5 mg

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CAS Number

59901-98-3

Target

Others

Related Pathways

Others

Bioactivity

3-Hydroxy-8,9-methylenedioxypterocarpene is a natural product for research related to life sciences. The catalog number is TN2944 and the CAS number is 59901-98-3.

Smiles

Oc1ccc2-c3oc4cc5OCOc5cc4c3COc2c1

Molecular Formula

C16H10O5

Molecular Weight

282.25

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Dehydromaackiain

3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene is a member of pterocarpans.

CAS Number	59901-98-3
PubChem CID	14730797
IUPAC Name	5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-ol
Molecular Formula	C16H10O5
Molecular Weight	282.25
XLogP	3
Topological Polar Surface Area	61.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	415

SMILES

C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5

InChI

InChI=1S/C16H10O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,17H,6-7H2

InChIKey

XCDMHEXDCIXKLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59901-98-3

CID: 14730797

Formula: C16H10O5

MW: 282.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	282.25
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	282.05282342
Monoisotopic Mass	282.05282342
Topological Polar Surface Area	61.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	415
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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Alternative Products

Catalog	Name
MBS5761500	3-Hydroxy-8,9-methylenedioxypterocarpene
TBZ0439	9α-Hydroxy-8β-isovalerianyloxycalyculatolide
XCA17028	8-Hydroxy-9,10-dihydroergotamine
XAA51808-01	8-Hydroxy-9,10-diisobutyryloxythymol
sc-337459	9-Hydroxy-1,8-naphthalide
HY-N13430	9-Hydroxy-O-senecioyl-8,9-dihydrooroselol
TBZ0444	(-)-3-Hydroxy-4-methoxy-8,9-methylenedioxy pterocarpan
AP KR 0331-01	8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
HY-168791-01	8 (R) -Hydroxy-9 (S) -Hexahydrocannabinol
HY-168790-01	8 (S) -Hydroxy-9 (S) -hexahydrocannabinol

3-Hydroxy-8,9-methylenedioxypterocarpene

Chemical Information

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