(3R,3aR,5aS,6S,10aR,10bS)-3-[(1R,2E,4E)-5-Carboxy-1-methyl-2,4-hexadien-1-yl]-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-3a,5a,7,10b-tetramethyl-8-oxo-1H-cyclopenta[7,8]naphtho[2,3-b]furan-6-propanoic acid

CAS Registry Number®

605664-52-6

CAS Name

(3R,3aR,5aS,6S,10aR,10bS)-3-[(1R,2E,4E)-5-Carboxy-1-methyl-2,4-hexadien-1-yl]-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-3a,5a,7,10b-tetramethyl-8-oxo-1H-cyclopenta[7,8]naphtho[2,3-b]furan-6-propanoic acid

Molecular Formula

C30H40O6

Molecular Mass

496.64

Cite this Page

(3R,3aR,5aS,6S,10aR,10bS)-3-[(1R,2E,4E)-5-Carboxy-1-methyl-2,4-hexadien-1-yl]-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-3a,5a,7,10b-tetramethyl-8-oxo-1H-cyclopenta[7,8]naphtho[2,3-b]furan-6-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=605664-52-6 (retrieved 2024-11-25) (CAS RN: 605664-52-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H40O6/c1-17(8-7-9-18(2)26(33)34)20-12-13-30(6)23-16-22-25(19(3)27(35)36-22)21(10-11-24(31)32)28(23,4)14-15-29(20,30)5/h7-9,16-17,20-21,23H,10-15H2,1-6H3,(H,31,32)(H,33,34)/b8-7+,18-9+/t17-,20-,21-,23-,28+,29-,30+/m1/s1

InChIKey

InChIKey=XQPMQYSWONIJSL-UROXQCBESA-N

SMILES

C[C@]12[C@]3([C@](C)([C@H](CCC(O)=O)C=4C(=C3)OC(=O)C4C)CC[C@]1(C)[C@@]([C@@H](/C=C/C=C(/C(O)=O)\C)C)(CC2)[H])[H]

Canonical SMILES

O=C(O)C(=CC=CC(C)C1CCC2(C)C3C=C4OC(=O)C(=C4C(CCC(=O)O)C3(C)CCC12C)C)C

Other Names for this Substance

  • 1H-Cyclopenta[7,8]naphtho[2,3-b]furan-6-propanoic acid, 3-[(1R,2E,4E)-5-carboxy-1-methyl-2,4-hexadien-1-yl]-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-3a,5a,7,10b-tetramethyl-8-oxo-, (3R,3aR,5aS,6S,10aR,10bS)-
  • 1H-Cyclopenta[7,8]naphtho[2,3-b]furan-6-propanoic acid, 3-[(1R,2E,4E)-5-carboxy-1-methyl-2,4-hexadienyl]-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-3a,5a,7,10b-tetramethyl-8-oxo-, (3R,3aR,5aS,6S,10aR,10bS)-
  • (3R,3aR,5aS,6S,10aR,10bS)-3-[(1R,2E,4E)-5-Carboxy-1-methyl-2,4-hexadien-1-yl]-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-3a,5a,7,10b-tetramethyl-8-oxo-1H-cyclopenta[7,8]naphtho[2,3-b]furan-6-propanoic acid
  • Lepidolide
  • Lepidolide B

CAS INSIGHTSTM
Hourglass and a clock