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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:
1615-91-4
Molecular Weight:
410.72
EC Number:
208-759-1
MDL number:
MFCD00216319
UNSPSC Code:
85151701
PubChem Substance ID:
329747961
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

H225,H304,H315,H336,H410

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCL4637
BCCG6076
BCCD9044
BCBZ9207
BCBW3243

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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
Thomas Härtner et al.
FEMS microbiology letters, 243(1), 59-64 (2005-01-26)
Geobacter metallireducens and G. sulfurreducens have been classified as strictly anaerobic bacteria which grow and thrive in subsurface and sediment environments. Hopanoids are pentacyclic triterpenoid lipids and are important for bacterial membrane stability and functioning. Hopanoids predominantly occur in aerobically
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
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
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