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Merck
CN

04626

22(29)何帕烯 溶液

0.1 mg/mL in isooctane, analytical standard

别名:

何帕烯

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关于此项目

经验公式（希尔记法）:
C30H50
化学文摘社编号:
1615-91-4
分子量:
410.72
NACRES:
NA.24
PubChem Substance ID:
329747961
UNSPSC Code:
85151701
EC Number:
208-759-1
MDL number:
MFCD00216319

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InChI key

HHXYJYBYNZMZKX-PYQRSULMSA-N

InChI

1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1

SMILES string

[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CC[C@@H]2C(C)=C

grade

analytical standard

shelf life

limited shelf life, expiry date on the label

concentration

0.1 mg/mL in isooctane, 100 μg/mL in isooctane

application(s)

food and beverages

format

single component solution

storage temp.

−20°C

Quality Level

100

相关类别

General description

Certan Vial

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

存储类别

3 - Flammable liquids

wgk

WGK 2

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

危险化学品
此项目有

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCL4637
BCCG6076
BCCD9044
BCBZ9207
BCBW3243

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Lidia Smentek et al.
Journal of the American Chemical Society, 132(48), 17111-17117 (2010-11-18)
The long-standing question of what is the nature of the cyclization of squalene to form tetracyclic and pentacyclic triterpenes has been addressed computationally. Using the DFT method with an intrinsic reaction coordinate calculation, we find that the first three rings
Gopal Prasad Ghimire et al.
Biotechnology letters, 31(4), 565-569 (2009-01-01)
Squalene-hopene cyclase, which catalyzes the complex cyclization of squalene to the pentacyclic triterpene, hopene, is a key enzyme in the biosynthesis of hopanoids. The deduced amino acid sequence of the Streptomyces peucetius gene (spterp25) had significant similarity to other prokaryotic
Tsutomu Hoshino et al.
Organic & biomolecular chemistry, 2(10), 1456-1470 (2004-05-12)
To provide insight into the polycyclization mechanism of squalene by squalene-hopene cyclase (SHC) from Alicyclobacilus acidocaldarius, some analogs of nor- and bisnorsqualenes were synthesized including the deuterium-labeled squalenes and incubated with the wild-type SHC, leading to the following inferences. (1)
Marcin Nowosielski et al.
Journal of molecular modeling, 17(9), 2169-2174 (2011-05-13)
The analysis of biochemical processes is one of the main challenges for modern computational chemistry. Probably the biggest issue facing scientists in this case is the number of factors that have to be taken into account, as even those factors
Ramkumar Rajamani et al.
Journal of the American Chemical Society, 125(42), 12768-12781 (2003-10-16)
Molecular dynamics simulations with a combined quantum mechanical and molecular mechanical (QM/MM) potential have been carried out to investigate the squalene-to-hopene carbocation cyclization mechanism in squalene-hopene cyclase (SHC). The present study is based on free energy simulations by constructing the
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Hopane Reference Standards for use as Petrochemical Biomarkers in Oil Field Remediation and Spill Analysis

We provide high-quality, relevant hopane reference standards to be used as biomarkers for petrochemical oil field remediation and spill analysis.

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