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Substance Name: Pteroidin
RN: 90042-99-2
InChIKey: BAKGCTQQJJBYLU-XAIGFXQASA-N

Molecular Formula

  • C28-H37-Cl-O12

Molecular Weight

  • 601.041
 
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Names and Synonyms

Results Name

  • Pteroidin

Synonym

  • Pteroidine

Systematic Name

  • 5H-6,13a-Epoxybenzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 8,9,11,13-tetrakis(acetyloxy)-4-chlorododecahydro-6-hydroxy-1,8a,12-trimethyl-5-methylene-, (1R,3aR,4S,6S,8S,8aR,9S,11R,12R,12aS,13S,13aR)-

Registry Numbers

CAS Registry Number

  • 90042-99-2

System Generated Number

  • 0090042992

Structure Descriptors

InChI

1S/C28H37ClO12/c1-11-18(36-14(4)30)9-19(37-15(5)31)26(8)20(38-16(6)32)10-27(35)12(2)22(29)24-28(41-27,13(3)25(34)40-24)23(21(11)26)39-17(7)33/h11,13,18-24,35H,2,9-10H2,1,3-8H3/t11-,13-,18+,19-,20-,21+,22-,23-,24-,26+,27-,28?/m0/s1

InChIKey

BAKGCTQQJJBYLU-XAIGFXQASA-N

Smiles

O1[C@@H]2[C@@]3([C@H](C1=O)C)[C@H]([C@@H]1[C@@]([C@H](C[C@@](C([C@@H]2Cl)=C)(O3)O)OC(=O)C)([C@H](C[C@H]([C@@H]1C)OC(=O)C)OC(=O)C)C)OC(=O)C