Dihydroajugapitin

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For Research Use Only.

Size	Price	Stock	Quantity
5 mg	$1099	In stock

Category

Diterpenoids

Cat.No.

NP1672

CAS

87480-84-0

Product Name

Dihydroajugapitin

Structure

Product Details

Description

Dihydroajugapitin is a diterpenoid compound isolated from the herbs of Ajuga ciliata Bunge.

Synonyms

14,15-Dihydroajugapitin; (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2S)-2-methylbutanoate

IUPAC Name

[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2S)-2-methylbutanoate

Molecular Weight

552.7

Molecular Formula

C29H44O10

Canonical SMILES

CCC(C)C(=O)OC1C(CC2C(C(CC(C2(C13CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5CCOC5O4)O

InChI

InChI=1S/C29H44O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h15-16,19-24,26,32H,7-14H2,1-6H3/t15-,16+,19+,20+,21+,22-,23-,24-,26-,27-,28-,29+/m0/s1

InChIKey

XMVULWKEVGKECE-JORUAPMBSA-N

Boiling Point

611.7±55.0 °C(Predicted)

Purity

97.5%

Density

1.25±0.1 g/cm3(Predicted)

Appearance

Powder

Form

Powder

Packaging

5 mg

pKa

13.67±0.70(Predicted)

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