Triangularine

Catalog Number

ACM87340270

Product Name

Triangularine

CAS

87340-27-0

Category

Heterocyclic Organic Compound

Synonyms

CID6440796, C10410, 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)-, 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2Z)-, 87340-27-0, 87392-67-4

IUPAC Name

[(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate

Molecular Weight

335.4

Molecular Formula

C₁₈H₂₅NO₅

InChI

InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16-/m1/s1

InChI Key

GOENJWUGVSLZDQ-NCLHDQKXSA-N

Complexity

590

Covalently-Bonded Unit Count

1

Defined Atom Stereocenter Count

2

Exact Mass

335.1732729

H-Bond Acceptor

6

H-Bond Donor

1

Heavy Atom Count

24

Hydrogen Bond Acceptor Count

6

Hydrogen Bond Donor Count

1

Isomeric SMILES

C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO

Monoisotopic Mass

335.1732729

Physical State

Powder

Rotatable Bond Count

8

Topological Polar Surface Area

76.1 Ų

MSDS

COA

Spec Sheet