(13S,14R,22R,25S)-1,15-Dioxo-5-Chloro-6beta,13,20,22-Tetrahydroxy-14,17alpha:14,27-Diepoxy-16beta,24-Cyclo-13,14-Seco-5alpha-Ergosta-2-Ene-18,26-Dioic Acid 18,20:26,22-Dilactone
[CAS# 70241-09-7]

Identification

• Name: (13S,14R,22R,25S)-1,15-Dioxo-5-Chloro-6beta,13,20,22-Tetrahydroxy-14,17alpha:14,27-Diepoxy-16beta,24-Cyclo-13,14-Seco-5alpha-Ergosta-2-Ene-18,26-Dioic Acid 18,20:26,22-Dilactone
• Synonyms: Neuro_000435; 17,3-(Epoxymethano)-1,17:2,6-Dimethano-17H-Naphtho(1,2-F)Furo(3,4-B:2,3-C')Bisoxocin-4,8,11,21(1H,8Ah,10Bh)-Tetrone, 14A-Chloro-2,3,6,6A,9,10,10A,14,14A,15,16,16A-Dodecahydro-8A,15-Dihydroxy-2,6A,10B-Trimethyl-, (1S,2S,3S,6R,6As,8Ar,10As,10Bs,14Ar,16R,16Ar,17R,18Ar)-; 16,24-Cyclo-13,14-Secoergost-2-Ene-18,26-Dioic Acid, 5-Chloro-14,17:14,27-Diepoxy-6,13,20,22-Tetrahydroxy-1,15-Dioxo-, .Gamma.-Lactone .Delta.-Lactone
• Molecular Formula: C₂₈H₃₁ClO₁₀
• Molecular Weight: 563.00
• CAS Registry Number: 70241-09-7
• SMILES: CC14OC(=O)C8(O)C12OC3(OCC5C(C2C3=O)(CC4OC5=O)C)C6C(C7(C(Cl)(C(O)C6)CC=CC7=O)C)CC8
• InChI: 1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3
• InChIKey: YNEPXUIPALKHAU-UHFFFAOYSA-N

Properties

• Density: 1.593g/cm³ (Cal.)