Monacolin J

CAS Registry Number®

79952-42-4
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CAS Name

Monacolin J

Molecular Formula

C19H28O4

Molecular Mass

320.42

Cite this Page

Monacolin J.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79952-42-4 (retrieved 2024-05-11) (CAS RN: 79952-42-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125-126 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1

InChIKey

InChIKey=ZDFOBOYQVYMVCW-IRUSZSJRSA-N

SMILES

C(C[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]2[C@@]3(C(C=C[C@@H]2C)=C[C@H](C)C[C@@H]3O)[H]

Canonical SMILES

O=C1OC(CCC2C(C=CC3=CC(C)CC(O)C32)C)CC(O)C1

Other Names for this Substance

  • 2H-Pyran-2-one, 6-[2-[(1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthalenyl]ethyl]tetrahydro-4-hydroxy-, (4R,6R)-
  • 2H-Pyran-2-one, 6-[2-(1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthalenyl)ethyl]tetrahydro-4-hydroxy-, [1S-[1α(4S*,6S*),2α,6β,8β,8aα]]-
  • (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-8-hydroxy-2,6-dimethyl-1-naphthalenyl]ethyl]tetrahydro-4-hydroxy-2H-pyran-2-one
  • Monacolin J
  • Antibiotic MB 530A

View All

Deleted or Replaced CAS Registry Numbers

76343-78-7, 81739-25-5

CAS INSIGHTSTM
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