CAS Registry Number®
22888-70-6
CAS Name
Silybin
Molecular Formula
C25H22O10
Molecular Mass
482.44
Compound Properties
-
Melting Point (1)
158 °C
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
InChIKey
InChIKey=SEBFKMXJBCUCAI-HKTJVKLFSA-N
SMILES
C(O)[C@@H]1[C@H](OC=2C(O1)=CC=C(C2)[C@H]3OC=4C(C(=O)[C@@H]3O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5
Canonical SMILES
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C4OC(CO)C(OC4=C3)C5=CC=C(O)C(OC)=C5)C1O
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
- 4-Chromanone, 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxan-6-yl]-
- Silybin
- 4H-1-Benzopyran-4-one, 2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, [2R-[2α,3β,6(2R*,3R*)]]-
- 1,4-Benzodioxin, 4H-1-benzopyran-4-one deriv.
- (2R,3R)-2-[(2R,3R)-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
- Silybine
- Silymarin I
- 7C3MT
- Silliver
- Silymarine I
- Silibinin
- Silymarin MZ 80
- Silybum substance E6
- Silybin A
- Silybin b1
- Silibinin A
- Mepasil
- Realsil
Deleted or Replaced CAS Registry Numbers
142796-20-1, 11054-49-2, 11076-05-4, 11076-06-5, 22888-69-3, 27359-03-1, 28577-40-4, 29832-10-8, 37574-50-8, 50976-99-3, 87725-90-4
