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About This Item
Empirical Formula (Hill Notation):
C21H26O5
CAS Number:
Molecular Weight:
358.43
EC Number:
200-160-3
UNSPSC Code:
12352200
MDL number:
Beilstein/REAXYS Number:
2065301
assay
98%
optical activity
[α]25/D +169°, c = 0.5 in dioxane
mp
236-238 °C (lit.)
SMILES string
O=C1C=C[C@@]2(C)C(CC[C@]([C@@](CC[C@@]3(C(CO)=O)O)([H])[C@]3(C)C4)([H])[C@]2([H])C4=O)=C1
InChI
1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChI key
XOFYZVNMUHMLCC-ZPOLXVRWSA-N
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Signal Word
Warning
Hazard Codes
Precautionary Statements
Hazard Classifications
STOT RE 2
Storage Class
11 - Combustible Solids
WGK
WGK 3
PPE (personal protective equipment)
Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
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