Anopterine

CAS Registry Number®

38826-62-9
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CAS Name

Anopterine

Molecular Formula

C31H43NO7

Molecular Mass

541.68

Cite this Page

Anopterine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38826-62-9 (retrieved 2024-09-19) (CAS RN: 38826-62-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H43NO7/c1-8-15(3)26(35)38-22-20-17(5)10-29-13-19(34)31(37)28(6)11-18(33)12-30(31,25(21(20)29)32(7)14-28)24(29)23(22)39-27(36)16(4)9-2/h8-9,18-25,33-34,37H,5,10-14H2,1-4,6-7H3/b15-8+,16-9+/t18-,19-,20-,21+,22+,23+,24+,25+,28-,29-,30-,31-/m0/s1

InChIKey

InChIKey=PISLVTVZMHAKFK-BVIOLJJUSA-N

SMILES

O[C@]12[C@@]34[C@]5([C@]6([C@@]([C@]3(N(C)C[C@]1(C)C[C@H](O)C4)[H])([C@@]([C@@H](OC(/C(=C/C)/C)=O)[C@H]5OC(/C(=C/C)/C)=O)(C(=C)C6)[H])[H])C[C@@H]2O)[H]

Canonical SMILES

O=C(OC1C(OC(=O)C(=CC)C)C2C34CC(=C)C1C4C5N(C)CC6(C)CC(O)CC52C6(O)C(O)C3)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (3S,5S,6aS,7R,7aR,10R,10bR,11R,12S,14S,15S)-decahydro-5,14,15-trihydroxy-1,3-dimethyl-9-methylene-2H,7H-7,10-ethano-7a,3,6a-[1]propanyl[3]ylidenepentaleno[1,2-b]azocine-11,12-diyl ester, (2E,2′E)-
  • 14,20-Cycloveatchane-2,5,6,11,12-pentol, 4,21-dimethyl-16-methylene-, 11,12-bis(2-methyl-2-butenoate), [2α,6α,11α(E),12α(E)]-
  • Anopterine
  • NSC 179172