CAS Registry Number®
17086-76-9
CAS Name
Cyasterone
Molecular Formula
C29H44O8
Molecular Mass
520.65
Compound Properties
-
Melting Point (1)
164-166 °C
Source(s)
- (1) Takemoto, Tsunematsu; Tetrahedron Letters, (1967), (33), 3191-4, CAplus
Other Names and Identifiers
InChI
InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
InChIKey
InChIKey=NEFYSBQJYCICOG-YSEUJXISSA-N
SMILES
O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@]([C@@]([C@@H](C[C@H]5[C@H](C)C(=O)O[C@@H]5C)O)(C)O)(CC2)[H])[H]
Canonical SMILES
O=C1OC(C)C(CC(O)C(O)(C)C2CCC3(O)C4=CC(=O)C5CC(O)C(O)CC5(C)C4CCC23C)C1C
Other Names for this Substance
- Stigmast-7-en-26-oic acid, 2,3,14,20,22,28-hexahydroxy-6-oxo-, γ-lactone, (2β,3β,5β,22R,24S,25S,28R)-
- 5β-Stigmast-7-en-26-oic acid, 2β,3β,14,20,22,28-hexahydroxy-6-oxo-, γ-lactone, (22R,24S,25S,28R)-
- Cyasterone
- Cyasteron
