rel-(3aR,5aR,6S,9S,10aR)-9-Ethoxy-2,3,3a,4,5,5a,6,9,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)cyclohept[e]indene-8-carboxaldehyde

CAS Registry Number®

157397-40-5
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CAS Name

rel-(3aR,5aR,6S,9S,10aR)-9-Ethoxy-2,3,3a,4,5,5a,6,9,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)cyclohept[e]indene-8-carboxaldehyde

Molecular Formula

C27H42O7

Molecular Mass

478.62

Cite this Page

rel-(3aR,5aR,6S,9S,10aR)-9-Ethoxy-2,3,3a,4,5,5a,6,9,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)cyclohept[e]indene-8-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=157397-40-5 (retrieved 2024-09-19) (CAS RN: 157397-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C27H42O7/c1-6-32-20-12-18-22-17(15(2)3)7-8-26(22,4)9-10-27(18,5)21(11-16(20)13-28)34-25-24(31)23(30)19(29)14-33-25/h11,13,15,18-21,23-25,29-31H,6-10,12,14H2,1-5H3/t18-,19-,20+,21+,23+,24-,25+,26-,27-/s2

InChIKey

InChIKey=ZQHNREXELVXBCG-SFTHQYIUNA-N

SMILES

C[C@]12C([C@@]3([C@](C)([C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)C=C(C=O)[C@@H](OCC)C3)CC1)[H])=C(C(C)C)CC2

Canonical SMILES

O=CC1=CC(OC2OCC(O)C(O)C2O)C3(C)CCC4(C(=C(CC4)C(C)C)C3CC1OCC)C

Other Names for this Substance

  • Cyclohept[e]indene-8-carboxaldehyde, 9-ethoxy-2,3,3a,4,5,5a,6,9,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)-, (3aR,5aR,6S,9S,10aR)-rel-
  • Cyclohept[e]indene-8-carboxaldehyde, 9-ethoxy-2,3,3a,4,5,5a,6,9,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-xylopyranosyloxy)-, (3aα,5aβ,6α,9α,10aα)-
  • rel-(3aR,5aR,6S,9S,10aR)-9-Ethoxy-2,3,3a,4,5,5a,6,9,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)cyclohept[e]indene-8-carboxaldehyde
  • Erinacin D
  • Erinacine D