Dehydroandrographolide

CAS Registry Number®

134418-28-3
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CAS Name

Dehydroandrographolide

Molecular Formula

C20H28O4

Molecular Mass

332.43

Cite this Page

Dehydroandrographolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=134418-28-3 (retrieved 2024-05-03) (CAS RN: 134418-28-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3/b14-5+/t15-,16-,17+,19-,20-/m0/s1

InChIKey

InChIKey=YIIRVUDGRKEWBV-CZUXAOBFSA-N

SMILES

C[C@]12[C@@]([C@@](CO)(C)[C@H](O)CC1)(CCC(=C)[C@@H]2C/C=C\3/C(=O)OC=C3)[H]

Canonical SMILES

O=C1OC=CC1=CCC2C(=C)CCC3C(C)(CO)C(O)CCC23C

Other Names for this Substance

  • 2(3H)-Furanone, 3-[2-[(1S,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (3E)-
  • 2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-, [1R-[1α,2α,4aα,5β(E),8aβ]]-
  • (3E)-3-[2-[(1S,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-2(3H)-furanone
  • Dehydroandrographolide

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