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Deoxyandrographolide

CAS Registry Number®

4176-97-0
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CAS Name

Deoxyandrographolide

Molecular Formula

C20H30O4

Molecular Mass

334.45

Cite this Page

Deoxyandrographolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4176-97-0 (retrieved 2024-09-20) (CAS RN: 4176-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H30O4/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/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1

InChIKey

InChIKey=GVRNTWSGBWPJGS-YSDSKTICSA-N

SMILES

C[C@]12[C@@]([C@@](CO)(C)[C@H](O)CC1)(CCC(=C)[C@H]2CCC=3C(=O)OCC3)[H]

Canonical SMILES

O=C1OCC=C1CCC2C(=C)CCC3C(C)(CO)C(O)CCC23C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-
  • 5β,9βH,10α-Labda-8(20),13-dien-16-oic acid, 3α,15,18-trihydroxy-, γ-lactone
  • 2(5H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-, [1R-(1α,4aβ,5α,6α,8aα)]-
  • 3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone
  • Deoxyandrographolide

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Deleted or Replaced CAS Registry Numbers

42895-59-0, 871126-71-5, 1107661-53-9