Propanoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-formyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester

CAS Registry Number®

123597-58-0
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CAS Name

Propanoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-formyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester

Molecular Formula

C24H32O6

Molecular Mass

416.51

Cite this Page

Propanoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-formyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123597-58-0 (retrieved 2024-09-02) (CAS RN: 123597-58-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O6/c1-12(2)20(27)30-23-9-14(4)24(29)16(18(23)21(23,5)6)8-15(11-25)10-22(28)17(24)7-13(3)19(22)26/h7-8,11-12,14,16-18,28-29H,9-10H2,1-6H3/t14-,16+,17-,18-,22-,23+,24-/m1/s1

InChIKey

InChIKey=QNVSXBIACBRZDU-CYZOKXGXSA-N

SMILES

O(C(C(C)C)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)C2)[C@]4([C@](O)(CC(C=O)=C3)C(=O)C(C)=C4)[H])[H])[H]

Canonical SMILES

O=CC1=CC2C3C(OC(=O)C(C)C)(CC(C)C2(O)C4C=C(C(=O)C4(O)C1)C)C3(C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-formyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
  • Propanoic acid, 2-methyl-, 3-formyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9aα)]-
  • 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, propanoic acid deriv.