CAS Registry Number®
5508-58-7
CAS Name
Andrographolide
Molecular Formula
C20H30O5
Molecular Mass
350.45
Compound Properties
-
Melting Point (1)
218 °C (decomp)
-
Density (2)
1.2317 g/cm³ @ Temp: 21 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Schwyzer, R.; Helvetica Chimica Acta, (1951), 34, 652-77, CAplus
Other Names and Identifiers
InChI
InChI=1S/C4H8.C3H8O.C2H6.11CH4.4H2O/c1-3-4-2;1-2-3-4;1-2;;;;;;;;;;;;;;;/h3H,1,4H2,2H3;4H,2-3H2,1H3;1-2H3;11*1H4;4*1H2
InChIKey
InChIKey=QFADUTUZMLFIHX-UHFFFAOYSA-N
SMILES
CC12C(C(CO)(C)C(O)CC1)CCC(=C)C2CC=C3C(O)COC3=O
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
- Andrographolide
- Andrographolid
- 3-dehydroandrographolide or 19-dehydroandrographolide? p. 1388
- Andrographiside aglycon
Deleted or Replaced CAS Registry Numbers
101060-34-8, 5953-53-7
