Tagitinin A

CAS Registry Number®

59979-61-2
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CAS Name

Tagitinin A

Molecular Formula

C19H28O7

Molecular Mass

368.42

Cite this Page

Tagitinin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=59979-61-2 (retrieved 2024-05-03) (CAS RN: 59979-61-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-174 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14+,15-,18+,19-/m0/s1

InChIKey

InChIKey=HREHFPZHVCNOMQ-YCIRREICSA-N

SMILES

O(C(C(C)C)=O)[C@H]1[C@@]2([C@@](C[C@H](C)[C@@]3(O)O[C@](C)(C1)[C@H](O)C3)(OC(=O)C2=C)[H])[H]

Canonical SMILES

O=C1OC2CC(C)C3(O)OC(C)(CC(OC(=O)C(C)C)C2C1=C)C(O)C3

Other Names for this Substance

  • Propanoic acid, 2-methyl-, (3aS,4R,6R,7R,9S,10S,11aR)-dodecahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester
  • 6,9-Epoxycyclodeca[b]furan, propanoic acid deriv.
  • Tagitinin A

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