Marrubiin

CAS Registry Number®

465-92-9

CAS Name

Marrubiin

Molecular Formula

C20H28O4

Molecular Mass

332.43

Cite this Page

Marrubiin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=465-92-9 (retrieved 2024-11-21) (CAS RN: 465-92-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    297-299 °C @ Press: 15 Torr

  • Melting Point (1)

    115.5-154.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1

InChIKey

InChIKey=HQLLRHCTVDVUJB-OBHOOXMTSA-N

SMILES

C[C@@]12[C@]3([C@](OC(=O)[C@@]3(C)CCC1)(C[C@@H](C)[C@@]2(CCC=4C=COC4)O)[H])[H]

Canonical SMILES

O=C1OC2CC(C)C(O)(CCC3=COC=C3)C4(C)CCCC1(C)C24

Other Names for this Substance

  • 2H-Naphtho[1,8-bc]furan-2-one, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS,5aS,6R,7R,8aR,8bR)-
  • 8βH-Labda-13(16),14-dien-19-oic acid, 15,16-epoxy-6β,9-dihydroxy-, γ-lactone
  • Marrubiin
  • 2H-Naphtho[1,8-bc]furan-2-one, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, [2aS-(2aα,5aβ,6α,7α,8aα,8bα)]-
  • (2aS,5aS,6R,7R,8aR,8bR)-6-[2-(3-Furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-2H-naphtho[1,8-bc]furan-2-one

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Deleted or Replaced CAS Registry Numbers

15420-98-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration