Scutebata C

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1248

CAS

1207181-59-6

Product Name

Scutebata C

Structure

Product Details

Description

Scutebata C is a natural diterpenoid found in the herbs of Scutellaria barbata D.Don in nature.

Synonyms

(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-Acetoxy-2-(4-hydroxy-5-oxo-2,5-di hydro-3-furanyl)ethyl]-2,3-dihydroxy-3,4,8,8a-tetramethyl-1,2,3,4 ,4a,5,6,8a-octahydro-1-naphthalenyl nicotinate

IUPAC Name

[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-2,3-dihydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate

Molecular Weight

529.6

Molecular Formula

C28H35NO9

Canonical SMILES

CC1=CCCC2C1(C(C(C(C2(C)C(CC3=C(C(=O)OC3)O)OC(=O)C)(C)O)O)OC(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C28H35NO9/c1-15-8-6-10-19-26(15,3)23(38-24(33)17-9-7-11-29-13-17)22(32)28(5,35)27(19,4)20(37-16(2)30)12-18-14-36-25(34)21(18)31/h7-9,11,13,19-20,22-23,31-32,35H,6,10,12,14H2,1-5H3/t19-,20-,22-,23-,26-,27-,28-/m0/s1

InChIKey

ZZDJHMJHKZYAFI-MDLIPRPFSA-N

Boiling Point

691.7±55.0 °C(Predicted)

Purity

>95%

Density

1.35±0.1 g/cm3(Predicted)

Appearance

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Form

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