31105-79-0

Basic information

• Product Name: (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one
• Synonyms: (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one;Peroxycostunolide;Verlotorin
• CAS NO: 31105-79-0
• Molecular Formula: C15H20O4
• Molecular Weight: 264.3169
• Mol File: 31105-79-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 460.9°Cat760mmHg
• Flash Point: 171.9°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 1.96E-10mmHg at 25°C
• Refractive Index: 1.529
• PKA: 11.75±0.40(Predicted)
• CAS DataBase Reference: (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one(31105-79-0)
• EPA Substance Registry System: (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one(31105-79-0)

Safety Data

• Hazardous Substances Data: 31105-79-0(Hazardous Substances Data)

Usage

Definition

ChEBI: A germacranolide isolated from Laurus nobilis L.

InChI:InChI=1/C15H20O4/c1-9-4-7-13(19-17)10(2)5-6-12-11(3)15(16)18-14(12)8-9/h8,12-14,17H,2-7H2,1H3/b9-8+

Upstream product

• 553-21-9 costunolide 

Relevant articles and documents

SESQUITERPENOIDS FROM THE LIVERWORT PORELLA ACUTIFOLIA SUBSP. TOSANA

Four new germacranolides, two new guaianolides and a new pinguisane-type sesquiterpene alcohol have been isolated from the pungent liverwort Porella acutifolia subsp. tosana, together with the previously known sesquiterpenoids, 4α,5β-epoxy-8-epi-inunolide and porelladiolide and diterpene dialdehyde, perrottetianal.Their structures were characterized by spectral data and chemical transformation.The hot taste of the species is due to the presence of 1α- and 1β-hydroperoxy-4α,5β-epoxygermacra-10(14),11(13)-dien-12,8-olides.Porella acutifolia subsp. tosana is classified as chemotype IV (pinguisane-germacrane/guaiane-sacculatane-type) of the Porellaceae.