Spirostan-3,6-dione, (5α,25R)-

CAS Registry Number®

3514-59-8
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CAS Name

Spirostan-3,6-dione, (5α,25R)-

Molecular Formula

C27H40O4

Molecular Mass

428.60

Cite this Page

Spirostan-3,6-dione, (5α,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3514-59-8 (retrieved 2024-09-19) (CAS RN: 3514-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    236-238 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1

InChIKey

InChIKey=CGXQJOWMWZPOPV-VNDFWDEUSA-N

SMILES

C[C@@H]1[C@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)[C@@](C(=O)C5)(CC(=O)CC6)[H])[H])[H])[H])[H])[H])CC[C@@H](C)CO2

Canonical SMILES

O=C1CCC2(C)C(C(=O)CC3C2CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C1

Other Names for this Substance

  • Spirostan-3,6-dione, (5α,25R)-
  • 5α-Spirostan-3,6-dione, (25R)-
  • Chlorogenone
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirostan-3,6-dione deriv.
  • 5α,25D-Spirostan-3,6-dione