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04626

Supelco

Hop-22(29)-ene solution

0.1 mg/mL in isooctane, analytical standard

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Synonym(s):
Diploptene
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

Related Categories

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

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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M Rohmer et al.
European journal of biochemistry, 112(3), 541-547 (1980-12-01)
1. A cell-free system from the bacterium Acetobacter pasteurianum was incubated with [12-3H]squalene; diploptene and diplopterol, hopanoids normally present in the bacterium, were labelled. Their radioactivity was confirmed by purification using thin-layer chromatography, synthesis of derivatives and recrystallization to constant
Seiichi P T Matsuda et al.
Organic & biomolecular chemistry, 4(3), 530-543 (2006-02-01)
Most quantum mechanical studies of triterpene synthesis have been done on small models. We calculated mPW1PW91/6-311+G(2d,p)//B3LYP/6-31G* energies for many C30H51O+ intermediates to establish the first comprehensive energy profiles for the cationic cyclization of oxidosqualene to lanosterol, lupeol, and hopen-3beta-ol. Differences
B Andes Hess et al.
Organic letters, 6(11), 1717-1720 (2004-05-21)
The cyclization of the A-B rings of squalene to hopene is studied computationally (DFT). A transition structure is found for a concerted, asynchronous pathway for the formation of chair-chair decalin carbocation. The computationally derived conformer leading to this asynchronous transition
M Vyssotski et al.
Lipids, 46(12), 1155-1161 (2011-08-02)
A Gram-negative, aerobic, pink-pigmented, rod-shaped bacterium Chthonomonas calidirosea (strain T49(T)) with an optimal temperature for growth of 68 °C, isolated from soil samples from Hell's Gate in the Tikitere geothermal system (New Zealand), was the first cultivated bacterium of the novel
Dirk J Reinert et al.
Chemistry & biology, 11(1), 121-126 (2004-04-29)
The membrane protein squalene-hopene cyclase was cocrystallized with 2-azasqualene and analyzed by X-ray diffraction to 2.13 A resolution. The conformation of this close analog was clearly established, and it agreed with the common textbook presentation. The bound squalene undergoes only
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Hopane Reference Standards for use as Petrochemical Biomarkers in Oil Field Remediation and Spill Analysis

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