1-Hydroxybaccatin I

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For Research Use Only.

Size	Price	Stock	Quantity
1 mg	$469	In stock

Category

Diterpenoids

Cat.No.

NP1494

CAS

30244-37-2

Product Name

1-Hydroxybaccatin I

Structure

Product Details

Description

1-Hydroxybaccatin I comes from the barks of Taxus chinensis. It has significant antinociceptive activity on abdominal contractions induced by p-benzoquinone.

Synonyms

Spiro[6,10-methanobenzocyclodecene-4(6H),2'-oxirane]-1,3,5,6,8,11,12-heptol, 1,2,3,4a,5,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-, 1,3,5,8,11,12-hexaacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)-; 4βH-Tax-11-ene-1,2α,5α,7β,9α,10β,13α-heptol, 4,20-epoxy-, 2,5,7,9,10,13-hexaacetate; 1β-Hydroxybaccatin I; NSC 330755

IUPAC Name

[(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate

Molecular Weight

652.68

Molecular Formula

C32H44O14

Canonical SMILES

CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23-,25+,26-,27-,28-,30+,31+,32+/m0/s1

InChIKey

LUTPIRPNUNHFEV-MBMCFSISSA-N

Boiling Point

657.2±55.0°C at 760 mmHg

Melting Point

260-261°C

Purity

≥95%

Density

1.31±0.1 g/cm3

Solubility

Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate

Appearance

Cryst.

Storage

Store at -20°C

Form

Powder

Packaging

1 mg

pKa

12.68±0.70(Predicted)

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