CAS Registry Number®
58812-37-6
CAS Name
Toosendanin
Molecular Formula
C30H38O11
Molecular Mass
574.62
Other Names and Identifiers
InChI
InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1
InChIKey
InChIKey=NAHTXVIXCMUDLF-RFNFAWMESA-N
SMILES
C[C@]12[C@]34[C@](C)([C@@H](C[C@]3(O4)[H])C=5C=COC5)[C@@H](OC(C)=O)C(=O)[C@@]1([C@]67[C@@](C[C@H]2O)([C@](C)([C@H](OC(C)=O)C[C@@H]6O)[C@H](O)OC7)[H])[H]
Canonical SMILES
O=C(OC1C(=O)C2C34COC(O)C(C)(C(OC(=O)C)CC3O)C4CC(O)C2(C)C56OC6CC(C7=COC=C7)C15C)C
Other Names for this Substance
- 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, [C(R),1α,3α,4β,5α,7α,12α,13α,14β,15β,17α]-
- 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, [1α,3α,4β(R),5α,7α,12α,13α,14β,15β,17α]-
- 14,15-Epoxy-4,10-(methanoxymethano)-1H-cyclopenta[a]phenanthrene, 24-norchola-20,22-diene-4-carboxaldehyde deriv.
- Chuanliansu
- Toosendanin
- 28-Deacetylsendanin
- 29-Deacetylsendanin
Deleted or Replaced CAS Registry Numbers
66052-48-0, 79304-40-8
