(3B,5B,12B)-3,12,14-Trihydroxy-Card-20(22)-Enolide
[CAS# 1672-46-4]

Identification

• Classification: Analytical chemistry >> Standard >> Forensic and veterinary standards
• Name: (3B,5B,12B)-3,12,14-Trihydroxy-Card-20(22)-Enolide
• Synonyms: Prestwick0_000883; Bspbio_000666; Prestwick1_000883
• Molecular Formula: C₂₃H₃₄O₅
• Molecular Weight: 390.52
• CAS Registry Number: 1672-46-4
• EINECS: 216-806-2
• SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1)C[C@@H](O)CC2)C)C[C@@H](O)[C@]4([C@]3(O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
• InChIKey: SHIBSTMRCDJXLN-KCZCNTNESA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 589.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 203.0±23.6°C (Cal.)

References

• (1): Jiro Harada, Shohei Miyago, Tadashi Mizoguchi, Chihiro Azai, Kazuhito Inoue, Hitoshi Tamiaki and Hirozo Oh-oka. Accumulation of chlorophyllous pigments esterified with the geranylgeranyl group and photosynthetic competence in the CT2256-deleted mutant of the green sulfur bacterium Chlorobium tepidum, Photochem. Photobiol. Sci., 2008, 7, 1179.