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Substance Name: Junceellin
RN: 92508-09-3
InChIKey: PXWWTSQKNXBHTK-PFCJEJOKSA-N

Note

  • From gorgonian, Gorgonella umbraculum.

Molecular Formula

  • C28-H35-Cl-O11

Molecular Weight

  • 583.026
 
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Names and Synonyms

Results Name

  • Junceellin

Synonyms

  • (-)-Junceellin
  • Junceellin

Systematic Name

  • 3aH-6,13a-Epoxybenzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 7,8,9,13-tetrakis(acetyloxy)-4-chlorododecahydro-1,8a-dimethyl-5,12-bis(methylene)-, (1R,3aR,4S,6S,7S,8R,8aR,9S,12aS,13S,13aR)-

Registry Numbers

CAS Registry Number

  • 92508-09-3

System Generated Number

  • 0092508093

Structure Descriptors

InChI

1S/C28H35ClO11/c1-11-9-10-18(35-14(4)30)27(8)19(11)23(37-16(6)32)28-13(3)26(34)39-24(28)20(29)12(2)21(40-28)22(36-15(5)31)25(27)38-17(7)33/h13,18-25H,1-2,9-10H2,3-8H3/t13-,18-,19+,20-,21+,22-,23-,24-,25-,27-,28?/m0/s1

InChIKey

PXWWTSQKNXBHTK-PFCJEJOKSA-N

Smiles

O(C(C)=O)[C@H]1[C@H]2C(CC[C@@H]([C@@]2([C@@H](OC(C)=O)[C@@H](OC(=O)C)[C@H]2O[C@@]31[C@@H](OC([C@@H]3C)=O)[C@H](C2=C)Cl)C)OC(C)=O)=C