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Substance Name: Praelolide
RN: 86425-67-4
InChIKey: VPXKDKFGKRSWEO-VMNMJZNYSA-N

Note

  • Diterpene lactone from gorgonian Menella praelonga.

Molecular Formula

  • C28-H35-Cl-O12

Molecular Weight

  • 599.026
 
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Names and Synonyms

Name of Substance

  • Praelolide

Synonym

  • Prelolide

Systematic Name

  • Spiro(12H-6,13a-epoxybenzo(4,5)cyclodeca(1,2-b)furan-12,2'-oxiran)-2(1H)-one, 7,8,9,13-tetrakis(acetyloxy)-4-chlorododecahydro-1,8a-dimethyl-5-methylene-, (1alpha,3abeta,4alpha,6alpha,7alpha,8beta,8abeta,9alpha,12alpha,12aalpha,13beta,13aalpha)-

Registry Numbers

CAS Registry Number

  • 86425-67-4

System Generated Number

  • 0086425674

Structure Descriptors

InChI

1S/C28H35ClO12/c1-11-18(29)22-28(12(2)25(34)40-22)24(39-16(6)33)21-26(7,17(36-13(3)30)8-9-27(21)10-35-27)23(38-15(5)32)20(19(11)41-28)37-14(4)31/h12,17-24H,1,8-10H2,2-7H3/t12-,17-,18-,19-,20+,21+,22-,23-,24-,26-,27-,28?/m0/s1

InChIKey

VPXKDKFGKRSWEO-VMNMJZNYSA-N

Smiles

O([C@H]1CC[C@@]2(OC2)[C@@H]2[C@@H]([C@@]34O[C@H]([C@H]([C@@H]([C@@]12C)OC(C)=O)OC(C)=O)C(=C)[C@@H](Cl)[C@@H]3OC(=O)[C@@H]4C)OC(C)=O)C(C)=O