Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate

CAS Registry Number®

139403-31-9
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CAS Name

Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate

Molecular Formula

C23H40O5

Molecular Mass

396.56

Cite this Page

Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139403-31-9 (retrieved 2024-06-26) (CAS RN: 139403-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H40O5/c1-4-5-6-16(2)11-19(24)7-8-20-21-13-17(12-18(21)14-22(20)25)9-10-28-15-23(26)27-3/h7-8,16-22,24-25H,4-6,9-15H2,1-3H3/b8-7+/t16-,17+,18-,19+,20+,21-,22+/m0/s1

InChIKey

InChIKey=SLDLSMFNGFIPNI-RXYUHBJGSA-N

SMILES

C(=C/[C@H](C[C@H](CCCC)C)O)\[C@@H]1[C@@]2([C@@](C[C@@H](CCOCC(OC)=O)C2)(C[C@H]1O)[H])[H]

Canonical SMILES

O=C(OC)COCCC1CC2CC(O)C(C=CC(O)CC(C)CCCC)C2C1

Other Names for this Substance

  • Acetic acid, 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]-, methyl ester
  • Acetic acid, [2-[octahydro-5-hydroxy-4-(3-hydroxy-5-methyl-1-nonenyl)-2-pentalenyl]ethoxy]-, methyl ester, [2R-[2α,3aα,4α(1E,3S*,5S*),5β,6aα]]-
  • Acetic acid, [2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl]-2-pentalenyl]ethoxy]-, methyl ester
  • Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate
  • SM 10902

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