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Key Documents

04626

Supelco

Hop-22(29)-ene solution

0.1 mg/mL in isooctane, analytical standard

Synonym(s):

Diploptene

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About This Item

Empirical Formula (Hill Notation):
C30H50
CAS Number:
Molecular Weight:
410.72
EC Number:
MDL number:
UNSPSC Code:
85151701
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

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

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

InChI key

HHXYJYBYNZMZKX-PYQRSULMSA-N

General description

Certan Vial

Signal Word

Danger

Hazard Statements

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

10.4 °F - closed cup

Flash Point(C)

-12 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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
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
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)
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
T Sato et al.
Bioscience, biotechnology, and biochemistry, 62(2), 407-411 (1998-04-09)
An overexpression system for squalene-hopene cyclase (SHC) was constructed by using the pET3a vector, which is responsible for high expression with help from the strong T7 promoter when incorporated into E. coli BL21(DE3). Site-directed mutagenesis experiments prove that two amino

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