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ChemicalBook >> CAS DataBase List >>(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone

(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone

(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone Structure
(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone structure
CAS No.
78798-40-0
Chemical Name:
(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone
Synonyms
Ajugamarin;Ajugamarin A-1;(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone;(E)-2-Methyl-2-butenoic acid [(1R,4aβ)-8α-acetoxy-8aα-acetoxymethyl-5β-[(2S)-2-(2,5-dihydro-5-oxofuran-3-yl)-2-hydroxyethyl]-5,6α-dimethylspiro[decalin-1,2'-oxiran]-4β-yl] ester;2-Butenoic acid, 2-methyl-, (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-4-yl ester, (2E)-
CBNumber:
CB72418372
Molecular Formula:
C29H40O10
Molecular Weight:
548.62
MDL Number:
MOL File:
78798-40-0.mol
Last updated:2023-05-04 17:34:42
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(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone Properties

Melting point 90-92 °C(Solv: methanol (67-56-1))
Boiling point 663.3±55.0 °C(Predicted)
Density 1.26±0.1 g/cm3(Predicted)
pka 14.24±0.20(Predicted)

(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone Chemical Properties,Uses,Production

Description

Ajugamarin A 1 is a Neoclerodane diterpenoid.

Definition

ChEBI: Ajugamarin A1 is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is an acetate ester, a butenolide, a diterpene lactone and a spiro-epoxide.

(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone Preparation Products And Raw materials

Raw materials

Preparation Products

ajugamarin A2

(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone Suppliers

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(4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone (E)-2-Methyl-2-butenoic acid [(1R,4aβ)-8α-acetoxy-8aα-acetoxymethyl-5β-[(2S)-2-(2,5-dihydro-5-oxofuran-3-yl)-2-hydroxyethyl]-5,6α-dimethylspiro[decalin-1,2'-oxiran]-4β-yl] ester Ajugamarin Ajugamarin A-1 2-Butenoic acid, 2-methyl-, (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-4-yl ester, (2E)- 78798-40-0