Herkinorin

CAS Registry Number®

862073-77-6

CAS Name

Herkinorin

Molecular Formula

C28H30O8

Molecular Mass

494.53

Cite this Page

Herkinorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=862073-77-6 (retrieved 2024-11-22) (CAS RN: 862073-77-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-170 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1

InChIKey

InChIKey=PYDQMXRFUVDCHC-XAGHGKQISA-N

SMILES

C[C@@]12[C@@]3([C@](C)([C@H](C(OC)=O)C[C@H](OC(=O)C4=CC=CC=C4)C3=O)CC[C@]1(C(=O)O[C@@H](C2)C=5C=COC5)[H])[H]

Canonical SMILES

O=C(OC1C(=O)C2C(C)(CCC3C(=O)OC(C4=COC=C4)CC32C)C(C(=O)OC)C1)C=5C=CC=CC5

Other Names for this Substance

  • 2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 9-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-
  • Herkinorin

CAS INSIGHTSTM
Targeted protein degrader structure, illustration