Neocaesalpin O

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For Research Use Only.

Size	Price	Stock	Quantity
5 mg	$1344	In stock

Category

Terpenes

Cat.No.

NP1786

CAS

1053189-53-9

Product Name

Neocaesalpin O

Structure

Product Details

Description

Neocaesalpin O is a natural diterpenoid compound found in several plants.

Synonyms

(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-4a,7-dihydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,5,6-triyl triacetate

IUPAC Name

[(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,11a-hexahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate

Molecular Weight

506.542

Molecular Formula

C26H34O10

Canonical SMILES

CC(=O)OC1CCC(C2(C1(C3C=C4C(=CC(=O)O4)C(C3C(C2OC(=O)C)OC(=O)C)(C)O)C)O)(C)C

InChI

InChI=1S/C26H34O10/c1-12(27)33-18-8-9-23(4,5)26(32)22(35-14(3)29)21(34-13(2)28)20-16(24(18,26)6)10-17-15(25(20,7)31)11-19(30)36-17/h10-11,16,18,20-22,31-32H,8-9H2,1-7H3/t16-,18-,20-,21+,22-,24-,25+,26+/m0/s1

InChIKey

XKLBSFHFNUCCKY-UXYMEOMDSA-N

Boiling Point

645.2±55.0 °C(Predicted)

Purity

>98%

Density

1.3±0.1 g/cm3

Appearance

Powder

Color

Yellow

Form

Powder

Packaging

5 mg

pKa

12.83±0.70(Predicted)

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