Pectenotoxin-2

CAS

97564-91-5

Catalog Number

ACM97564915

Category

Other Products

Molecular Weight

859.05000

Molecular Formula

C₄₇H₇₀O₁₄

MSDS COA Spec Sheet

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Specification

IUPAC Name

Pectenotoxin 2

Density

1.3g/cm³

Exact Mass

858.47700

What is the molecular formula of pectenotoxin-2?

The molecular formula of pectenotoxin-2 is C47H68O14.

What are the synonyms of pectenotoxin-2?

The synonyms of pectenotoxin-2 are CHEMBL1235520 and Q27464622.

What is the molecular weight of pectenotoxin-2?

The molecular weight of pectenotoxin-2 is 857.0 g/mol.

When was pectenotoxin-2 created and modified?

Pectenotoxin-2 was created on February 17, 2011, and last modified on December 30, 2023.

What is the IUPAC name of pectenotoxin-2?

The IUPAC name of pectenotoxin-2 is (1S,2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(6R)-5,6-dihydroxy-4-methyl-2,3-dihydropyran-6-yl]-28-hydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1 1,35 .1 2,5 .1 20,24 .1 24,27 .1 29,32 .0 12,16 ]tritetraconta-8,10-diene-18,31-dione.

What is the InChI of pectenotoxin-2?

The InChI of pectenotoxin-2 is InChI=1S/C47H68O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)-18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27,29,31-38,40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+/t27-,29+,31-,32+,33-,34+,35+,36+,37-,38-,40-,42+,43-,44+,45+,46-,47+/m0/s1.

What is the InChIKey of pectenotoxin-2?

The InChIKey of pectenotoxin-2 is UUHLZWPSPOPYFR-LTNDQFMQSA-N.

What is the Canonical SMILES of pectenotoxin-2?

The Canonical SMILES of pectenotoxin-2 is CC1CC2(CCC(O2)C34CCC(O3)(CC(O4)C5C(=O)CC(O5)(C(C6CCC7(O6)CCCC(O7)C(C(=O)OC8CC(OC8C=CC(=C1)C)C9(C(=C(CCO9)C)O)O)C)O)C)C)C.

What is the ChEMBL ID of pectenotoxin-2?

The ChEMBL ID of pectenotoxin-2 is CHEMBL1235520.

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