(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 2024-11-06) (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)23-9-10-25-22(17-21(23)8-12-27(31)32)13-15-29(5)24(14-16-30(25,29)6)20(4)26-11-7-19(3)28(33)34-26/h7,9-10,17,20,24,26H,8,11-16H2,1-6H3,(H,31,32)/t20-,24+,26-,29+,30-/m0/s1

InChIKey

InChIKey=TYAJEEFQBLTASC-NNIFVFKYSA-N

SMILES

C[C@]12[C@@](C)([C@@]([C@H](C)[C@]3(OC(=O)C(C)=CC3)[H])(CC1)[H])CCC4=C2C=CC(=C(C)C)C(CCC(O)=O)=C4

Canonical SMILES

O=C1OC(CC=C1C)C(C)C2CCC3(C=4C=CC(C(=CC4CCC23C)CCC(=O)O)=C(C)C)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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