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04626

Supelco

Hop-22(29)-ene solution

0.1 mg/mL in isooctane, analytical standard

Sinônimo(s):

Diploptene

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About This Item

Fórmula empírica (Notação de Hill):
C30H50
Número CAS:
1615-91-4
Peso molecular:
410.72
Número CE:
208-759-1
Número MDL:
MFCD00216319
Código UNSPSC:
85151701
ID de substância PubChem:
329747961
NACRES:
NA.24

grau

analytical standard

Nível de qualidade

100

prazo de validade

limited shelf life, expiry date on the label

concentração

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

aplicação(ões)

food and beverages

Formato

single component solution

temperatura de armazenamento

−20°C

cadeia de caracteres SMILES

[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

chave InChI

HHXYJYBYNZMZKX-PYQRSULMSA-N

Descrição geral

Certan Vial

Palavra indicadora

Danger

Frases de perigo

H225,H304,H315,H336,H410

Classificações de perigo

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

Órgãos-alvo

Central nervous system

Código de classe de armazenamento

3 - Flammable liquids

Classe de risco de água (WGK)

WGK 2

Ponto de fulgor (°F)

10.4 °F - closed cup

Ponto de fulgor (°C)

-12 °C - closed cup

Equipamento de proteção individual

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

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Certificados de análise (COA)

Lot/Batch Number
BCCG6076
BCCD9044
BCBZ9207
BCBW3243
BCBR5990V

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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
M Perzl et al.
Microbiology (Reading, England), 143 ( Pt 4), 1235-1242 (1997-04-01)
With the help of a PCR-based screening method, the gene encoding squalenehopene cyclase (SHC) of Bradyrhizobium japonicum USDA 110 was isolated from a cosmid library. The SHC catalyses the cyclization of squalene to hopanoids, a class of triterpenoid lipids recently
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
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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