3-O-(E)-p-Coumaroylbetulin structure, CAS 144424-80-6

3-O-(E)-p-Coumaroylbetulin

CAS Number144424-80-6

Synonyms(3β)-28-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxyphenyl)acrylate

Molecular FormulaC39H56O4

Molecular Weight594.52

Purity≥95.0 (HPLC)%

Density1.1±0.1 g/cm3

Boiling Point658.4±30.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9065761 Purity: ≥95.0 (HPLC)%
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Quality Control of [ 144424-80-6 ] Purity: ≥95.0 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number144424-80-6
Catalog No.2A-9065761
Chinese Name3-O-(E)对香豆酰基桦木脑
Synonyms(3β)-28-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxyphenyl)acrylate
Molecular FormulaC39H56O4
Molecular Weight594.52
Purity≥95.0 (HPLC)
Density1.1±0.1 g/cm3
Boiling Point658.4±30.0 °C at 760 mmHg
Appearancepowder
Storage Condition2-8℃, dry, sealed
Application3-O-(E)-coumaroyl betulin (3-(E) trans-coumaryl betulin) (compound 6) is an effective antitumor agent [1].
MDL NumberMFCD00017454
SMILESO[C@H]1[C@H](O)[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)cc5)[C@@H]1O
InChI1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
InChI KeyDVGGLGXQSFURLP-VWMSDXGPSA-N
NACRES CodeNA.24
UNSPSC41116107
MSDSmsds/65761_1_144424_80_6.pdf
Transport InfoProduct name: 3-O-(E)-p-Coumaroylbetulin
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