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methyl (4aR,4bS,5aR,6aR,6bR,9S,10aR,12aR,12bS,14aS)-9-hydroxy-3,3,6b,10,10,12a,12b-heptamethyloctadecahydro-1H-piceno[12b,13-b]oxirene-14a(5aH)-carboxylate structure
methyl (4aR,4bS,5aR,6aR,6bR,9S,10aR,12aR,12bS,14aS)-9-hydroxy-3,3,6b,10,10,12a,12b-heptamethyloctadecahydro-1H-piceno[12b,13-b]oxirene-14a(5aH)-carboxylate structure

methyl (4aR,4bS,5aR,6aR,6bR,9S,10aR,12aR,12bS,14aS)-9-hydroxy-3,3,6b,10,10,12a,12b-heptamethyloctadecahydro-1H-piceno[12b,13-b]oxirene-14a(5aH)-carboxylate

Iupac Name:dihydroxy(dioxo)tungsten;dihydroxy(oxo)silane;dioxido(dioxo)molybdenum;[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium
CAS No.:80083-40-5
Molecular Weight:1799.53946
1. Names and Identifiers
1.1 Name
methyl (4aR,4bS,5aR,6aR,6bR,9S,10aR,12aR,12bS,14aS)-9-hydroxy-3,3,6b,10,10,12a,12b-heptamethyloctadecahydro-1H-piceno[12b,13-b]oxirene-14a(5aH)-carboxylate
1.2 CAS No.
80083-40-5
1.3 CID
131698724
1.4 Molecular Formula
C11H8N4 (isomer)
1.5 Inchi
InChI=1S/2C28H30N2O3.Mo.H2O3Si.2H2O.6O.W/c2*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;;1-4(2)3;;;;;;;;;/h2*9-16,29H,6-8H2,1-5H3;;1-2H;2*1H2;;;;;;;/q;;;;;;;;;;2*-1;+2
1.6 InChkey
TZXDGLDAOQAIEE-UHFFFAOYSA-N
1.7 Canonical Smiles
CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.O[Si](=O)O.O[W](=O)(=O)O.[O-][Mo](=O)(=O)[O-]
1.8 Isomers Smiles
CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.O[Si](=O)O.O[W](=O)(=O)O.[O-][Mo](=O)(=O)[O-]
2. 3D Conformer
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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