CAS No.: 18794-84-8 — - (反式-β-金合欢烯)

1. Primary Information

English name:	-
CAS No.:	18794-84-8
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	beta-farnesene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	80%(GC)	160	-20℃	in stock	-
Kehua Intelligence	250mg	80%(GC)	272	-20℃	in stock	-
Kehua Intelligence	1g	80%(GC)	680	-20℃	in stock	-
Kehua Intelligence	5g	80%(GC)	1990	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 39 38 0 0 0 0 0 0 0999 V2000 2.5378 1.7441 0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 1.8277 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3474 0.5575 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3457 1.2291 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1077 1.2548 0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6826 -0.0532 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 -0.7683 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 2.5793 -1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4017 -1.7922 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 -0.1635 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 -3.0949 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 -1.6965 -1.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0898 -0.7113 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6177 0.2715 -1.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7978 -1.1842 1.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 1.6883 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 2.6774 0.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 0.6705 -0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 0.6104 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 2.1130 -0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9377 1.2920 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3314 0.7312 1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 -0.0637 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 -0.9425 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 -0.9019 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 2.5418 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2615 3.6319 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 2.1562 -1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6706 -3.1076 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8374 -3.2587 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4736 -3.9286 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -1.0826 -1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -1.3007 -2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.6891 -2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1366 -0.7420 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 0.6967 -2.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6692 0.2191 -2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5899 -1.5699 2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 -1.2018 2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 2 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene

4.2 InChI

InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+

4.3 InChIKey

JSNRRGGBADWTMC-NTCAYCPXSA-N

4.4 Canonical SMILES

CC(=CCCC(=CCCC(=C)C=C)C)C

4.5 Isomeric SMILES

CC(=CCC/C(=C/CCC(=C)C=C)/C)C

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

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5.2 ¹H nuclear magnetic resonance (¹H NMR)

Coming soon

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)