(3S,3aR,4S,9aS,9bR)-9-Formyl-2,3,3a,4,5,7,9a,9b-octahydro-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl 4-hydroxybenzeneacetate

CAS Registry Number®

374536-44-4

CAS Name

(3S,3aR,4S,9aS,9bR)-9-Formyl-2,3,3a,4,5,7,9a,9b-octahydro-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl 4-hydroxybenzeneacetate

Molecular Formula

C23H22O7

Molecular Mass

410.42

Cite this Page

(3S,3aR,4S,9aS,9bR)-9-Formyl-2,3,3a,4,5,7,9a,9b-octahydro-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl 4-hydroxybenzeneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=374536-44-4 (retrieved 2024-11-05) (CAS RN: 374536-44-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9-10,12,17,20-22,25H,7-8H2,1-2H3/t12-,17-,20+,21-,22-/m0/s1

InChIKey

InChIKey=CICWEHOIACOOIN-ZUQDHHQASA-N

SMILES

C(=O)C=1[C@@]2([C@@]3([C@@]([C@@H](OC(CC4=CC=C(O)C=C4)=O)CC(C)=C2C(=O)C1)([C@H](C)C(=O)O3)[H])[H])[H]

Canonical SMILES

O=CC1=CC(=O)C2=C(C)CC(OC(=O)CC3=CC=C(O)C=C3)C4C(OC(=O)C4C)C12

Other Names for this Substance

  • Benzeneacetic acid, 4-hydroxy-, (3S,3aR,4S,9aS,9bR)-9-formyl-2,3,3a,4,5,7,9a,9b-octahydro-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester
  • (3S,3aR,4S,9aS,9bR)-9-Formyl-2,3,3a,4,5,7,9a,9b-octahydro-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl 4-hydroxybenzeneacetate
  • 11β,13-Dihydrolactupicrin-15-al

CAS INSIGHTSTM
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