Neoandrographolide

CAS Registry Number®

27215-14-1
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CAS Name

Neoandrographolide

Molecular Formula

C26H40O8

Molecular Mass

480.59

Cite this Page

Neoandrographolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27215-14-1 (retrieved 2024-05-02) (CAS RN: 27215-14-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174.0-174.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1

InChIKey

InChIKey=YGCYRQKJYWQXHG-RDNQFMDVSA-N

SMILES

C[C@]12[C@@]([C@@](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(C)CCC1)(CCC(=C)[C@H]2CCC=4C(=O)OCC4)[H]

Canonical SMILES

O=C1OCC=C1CCC2C(=C)CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)CCCC23C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[2-[(1R,4aS,5R,8aS)-5-[(β-D-glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-
  • 5β,9βH,10α-Labda-8(20),13-dien-16-oic acid, 18-(glucosyloxy)-15-hydroxy-, γ-lactone
  • 2(5H)-Furanone, 3-[2-[5-[(β-D-glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-, [1R-(1α,4aβ,5α,8aα)]-
  • 3-[2-[(1R,4aS,5R,8aS)-5-[(β-D-Glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone
  • Neoandrographolide

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Deleted or Replaced CAS Registry Numbers

31222-64-7

CAS INSIGHTSTM
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