(3R,3aR,10bR)-3-[(1S)-1-[(2S)-3,6-Dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,3a,4,5,8,10b-octahydro-3a,10b-dimethyl-8-(1-methylethylidene)cyclohept[e]indene-7-propanoic acid

CAS Registry Number®

218915-17-4

CAS Name

(3R,3aR,10bR)-3-[(1S)-1-[(2S)-3,6-Dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,3a,4,5,8,10b-octahydro-3a,10b-dimethyl-8-(1-methylethylidene)cyclohept[e]indene-7-propanoic acid

Molecular Formula

C30H40O4

Molecular Mass

464.64

Cite this Page

(3R,3aR,10bR)-3-[(1S)-1-[(2S)-3,6-Dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,3a,4,5,8,10b-octahydro-3a,10b-dimethyl-8-(1-methylethylidene)cyclohept[e]indene-7-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=218915-17-4 (retrieved 2025-03-14) (CAS RN: 218915-17-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217-219 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H40O4/c1-18(2)15-23-17-25-22(16-21(23)8-10-27(31)32)11-13-29(5)24(12-14-30(25,29)6)20(4)26-9-7-19(3)28(33)34-26/h7,15-17,20,24,26H,8-14H2,1-6H3,(H,31,32)/t20-,24+,26+,29+,30-/m0/s1

InChIKey

InChIKey=BMBPEAZGQBOOKZ-PRIGXQCBSA-N

SMILES

C[C@]12[C@@](C)([C@@]([C@H](C)[C@@]3(OC(=O)C(C)=CC3)[H])(CC1)[H])CCC=4C2=CC(C=C(C)C)=C(CCC(O)=O)C4

Canonical SMILES

O=C1OC(CC=C1C)C(C)C2CCC3(C4=CC(C=C(C)C)=C(C=C4CCC23C)CCC(=O)O)C

Other Names for this Substance

  • Cyclohept[e]indene-7-propanoic acid, 3-[(1S)-1-[(2S)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,3a,4,5,8,10b-octahydro-3a,10b-dimethyl-8-(1-methylethylidene)-, (3R,3aR,10bR)-
  • (3R,3aR,10bR)-3-[(1S)-1-[(2S)-3,6-Dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,3a,4,5,8,10b-octahydro-3a,10b-dimethyl-8-(1-methylethylidene)cyclohept[e]indene-7-propanoic acid
  • Lancilactone C

CAS INSIGHTSTM
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