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Andrographolide

CAS Registry Number®

5508-58-7

CAS Name

Andrographolide

Molecular Formula

C20H30O5

Molecular Mass

350.45

Cite this Page

Andrographolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5508-58-7 (retrieved 2024-12-27) (CAS RN: 5508-58-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218 °C (decomp)

  • Density (2)

    1.2317 g/cm³ @ Temp: 21 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1

InChIKey

InChIKey=BOJKULTULYSRAS-OTESTREVSA-N

SMILES

C[C@]12[C@@]([C@@](CO)(C)[C@H](O)CC1)(CCC(=C)[C@H]2C/C=C/3\[C@H](O)COC3=O)[H]

Canonical SMILES

O=C1OCC(O)C1=CCC2C(=C)CCC3C(C)(CO)C(O)CCC23C

Other Names for this Substance

  • 2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-
  • 5β,9βH,10α-Labda-8(20),12-dien-16-oic acid, 3α,14,15,18-tetrahydroxy-, γ-lactone
  • 2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, [1R-[1α[E(S*)],4aβ,5α,6α,8aα]]-
  • Andrographis
  • (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone

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Deleted or Replaced CAS Registry Numbers

101060-34-8, 5953-53-7

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