Basic information

Product Name: (1R,4aS,7E,9R,11aR)-4-[(1R,2R)-1,2-Diacetoxy-4-methyl-3-pentenyl]-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylenecyclonona[c]pyran-1,9-diol diacetate
Synonyms: (1R,4aS,7E,9R,11aR)-4-[(1R,2R)-1,2-Diacetoxy-4-methyl-3-pentenyl]-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylenecyclonona[c]pyran-1,9-diol diacetate;Xenicin
CAS NO:64504-52-5
Molecular Formula: C28H38 O9
Molecular Weight: 518.6
EINECS: N/A
Product Categories: N/A
Mol File: 64504-52-5.mol

Chemical Properties

Melting Point: N/A
Boiling Point: 582.958°C at 760 mmHg
Flash Point: 243.898°C
Appearance: /
Density: 1.165g/cm³
Vapor Pressure: 0mmHg at 25°C
Refractive Index: 1.52
Storage Temp.: N/A
Solubility: N/A
CAS DataBase Reference: (1R,4aS,7E,9R,11aR)-4-[(1R,2R)-1,2-Diacetoxy-4-methyl-3-pentenyl]-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylenecyclonona[c]pyran-1,9-diol diacetate(CAS DataBase Reference)
NIST Chemistry Reference: (1R,4aS,7E,9R,11aR)-4-[(1R,2R)-1,2-Diacetoxy-4-methyl-3-pentenyl]-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylenecyclonona[c]pyran-1,9-diol diacetate(64504-52-5)
EPA Substance Registry System: (1R,4aS,7E,9R,11aR)-4-[(1R,2R)-1,2-Diacetoxy-4-methyl-3-pentenyl]-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylenecyclonona[c]pyran-1,9-diol diacetate(64504-52-5)

Safety Data

Hazard Codes: N/A
Statements: N/A
Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 64504-52-5(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 64504-52-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,4,5,0 and 4 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 64504-52:
(7*6)+(6*4)+(5*5)+(4*0)+(3*4)+(2*5)+(1*2)=115
115 % 10 = 5
So 64504-52-5 is a valid CAS Registry Number.

InChI:InChI=1/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12+/t22-,23+,25+,26-,27+,28+/m0/s1

64504-52-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name	[(1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-[(2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] acetate

1.2 Other means of identification

Product number	-
Other names	Xenicin

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

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64504-52-5Relevant academic research and scientific papers

ANTHELIOLIDE A AND B: TWO NEW C24-ACETOACETYLATED DITERPENOIDS OF THE SOFT CORAL ANTHELIA GLAUCA

Green, D.,Carmely, S.,Benayahu, Y.,Kashman, Y.

, p. 1605 - 1608 (2007/10/02)

Two new derivatives of xenicin and two novel C24 - acetoacetylated diterpenoids, antheliolide A and B (8 and 9) have been isolated from Anthelia glauca.The structure of compounds 8 and 9 was established by 2D-NMR techniques and a biogenesis starting from GeGePP via xeniaphyllane is suggested.

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