Carda-9(11),20(22)-dienolide, 3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-, (3β,5β)-
CAS Registry Number®
111508-63-5
CAS Name
Carda-9(11),20(22)-dienolide, 3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-, (3β,5β)-Molecular Formula
C30H42O9Molecular Mass
546.65Cite this Page
Carda-9(11),20(22)-dienolide, 3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-, (3β,5β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=111508-63-5 (retrieved ) (CAS RN: 111508-63-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H42O9/c1-15-25(32)21(36-4)13-23(38-15)39-18-7-9-28(2)17(12-18)5-6-20-24(28)26(33)27(34)29(3)19(8-10-30(20,29)35)16-11-22(31)37-14-16/h11,15,17-21,23,25,32-33,35H,5-10,12-14H2,1-4H3/t15-,17+,18-,19+,20+,21-,23-,25-,28-,29-,30-/m0/s1
InChIKey
InChIKey=QKBSRWIVHXFMNA-OEKLXEDWSA-N
SMILES
C[C@@]12[C@@](O)([C@]3(C(=C(O)C1=O)[C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)CC4)[H])[H])CC[C@@H]2C=6COC(=O)C6
Canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4C(=C(O)C(=O)C23C)C5(C)CCC(OC6OC(C)C(O)C(OC)C6)CC5CC4
Other Names for this Substance
- Carda-9(11),20(22)-dienolide, 3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-, (3β,5β)-
- Decoside