CAS Registry Number®
55332-76-8
CAS Name
Spirostan-2,3,6-triol, (2α,3β,5α,6β,25R)-
Molecular Formula
C27H44O5
Molecular Mass
448.64
Other Names and Identifiers
InChI
InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26-,27-/m1/s1
InChIKey
InChIKey=FYRLHXNMINIDCB-LEGLVIAUSA-N
SMILES
C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CC[C@@H](C)CO4)(C[C@]1([C@]5([C@](CC2)([C@]6(C)[C@@]([C@H](O)C5)(C[C@@H](O)[C@H](O)C6)[H])[H])[H])[H])[H])[H]
Canonical SMILES
OC1CC2C(O)CC3C(CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)CC1O
Other Names for this Substance
- Spirostan-2,3,6-triol, (2α,3β,5α,6β,25R)-
- Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirostan-2,3,6-triol deriv.
- Agigenin
