CAS Registry Number®
55804-74-5
CAS Name
Clitorin
Molecular Formula
C33H40O19
Molecular Mass
740.66
Other Names and Identifiers
InChI
InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
InChIKey
InChIKey=WRXVPTMENPZUIZ-QEZWUOJGSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)O4
Canonical SMILES
O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC4OC(C)C(O)C(O)C4O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=CC6
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
- 3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- Clitorin
- Kaempferol 3-(2G-rhamnosylrutinoside)
- Kaempferol 3-O-(2,6-α-L-dirhamnopyranosyl-β-D-glucopyranoside)
Deleted or Replaced CAS Registry Numbers
32602-83-8, 216157-84-5, 1214731-13-1
