(1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid

CAS Registry Number®

41060-01-9

CAS Name

(1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid

Molecular Formula

C18H28O4

Molecular Mass

308.41

Cite this Page

(1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41060-01-9 (retrieved 2024-11-12) (CAS RN: 41060-01-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H28O4/c1-10-7-11(2)15-13(8-10)9-12(3)16(17(21)22)18(15,4)14(20)5-6-19/h9-11,13,15-16,19H,5-8H2,1-4H3,(H,21,22)/t10-,11+,13+,15-,16+,18+/m1/s1

InChIKey

InChIKey=SFTQDPVLDKOILY-YESAMXMWSA-N

SMILES

C(CCO)(=O)[C@@]1(C)[C@]2([C@](C=C(C)[C@H]1C(O)=O)(C[C@H](C)C[C@@H]2C)[H])[H]

Canonical SMILES

O=C(O)C1C(=CC2CC(C)CC(C)C2C1(C(=O)CCO)C)C

Other Names for this Substance

  • 2-Naphthalenecarboxylic acid, 1,2,4a,5,6,7,8,8a-octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-, (1S,2R,4aS,6R,8S,8aR)-
  • 2-Naphthalenecarboxylic acid, 1,2,4a,5,6,7,8,8a-octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-, [1S-(1α,2α,4aβ,6α,8α,8aα)]-
  • (1S,2R,4aS,6R,8S,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid
  • Diplodiatoxin
  • (+)-Diplodiatoxin

CAS INSIGHTSTM
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