CAS No.: 163089-71-2 — Huperzine C (石杉碱C)

1. Primary Information

English name:	Huperzine C
CAS No.:	163089-71-2
Molecular formula:	C₁₅H₁₈N₂O
Molecular weight:	242.32 g/mol
SMILES:	CC1=CC2CC3=C(C=CC(=O)N3)C(C1)(C2C=C)N
Structural class:
Other identifiers:	hupC protein, Bacteria hydrogenase B-type cytochrome subunit hupC protein, Bacteria

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	2544	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 38 0 1 0 0 0 0 0999 V2000 4.5139 -0.0584 0.5733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0527 0.9094 -2.2712 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 0.1175 1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 0.1847 -1.0020 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7509 0.8669 0.0998 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4999 0.1020 1.4227 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4254 -1.2596 -1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 0.2918 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 0.1063 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9529 0.1748 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 -1.3759 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 -1.9988 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 2.3493 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 -0.0716 -1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 -3.4609 -0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9478 -0.1275 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -0.0177 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 3.2678 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 0.7192 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 0.4825 2.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7099 -1.8517 -1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 -1.2173 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 -0.4441 2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 1.2785 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 -1.9383 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 0.3839 -3.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 1.8078 -2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5437 2.7063 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 -0.1770 -2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 0.1807 2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -3.9893 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9147 -3.6094 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3064 -3.9251 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7308 -0.2629 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 4.3210 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 2.9912 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 7 12 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1R,9R,13R)-1-amino-13-ethenyl-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

4.2 InChI

InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10-11H,1,7-8,16H2,2H3,(H,17,18)/t10-,11+,15+/m0/s1

4.3 InChIKey

IZGRHSRWTILCID-FIXISWKDSA-N

4.4 Canonical SMILES

CC1=CC2CC3=C(C=CC(=O)N3)C(C1)(C2C=C)N

4.5 Isomeric SMILES

CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@](C1)([C@@H]2C=C)N

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

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)