rel-(-)-(3bR,6aR,11aS,11bR,13aR)-1,2,3b,4,6a,11a,11b,12,13,13a-Decahydro-11b,13a-dimethyl-3-(1-methylethyl)-6,8-methano-7H-indeno[5′′,4′′:3′,4′]cyclohepta[1′,2′:4,5]furo[2,3-b]pyran-6b,7,8,14(9H,10aH)-tetrol

CAS Registry Number®

178120-47-3

CAS Name

rel-(-)-(3bR,6aR,11aS,11bR,13aR)-1,2,3b,4,6a,11a,11b,12,13,13a-Decahydro-11b,13a-dimethyl-3-(1-methylethyl)-6,8-methano-7H-indeno[5′′,4′′:3′,4′]cyclohepta[1′,2′:4,5]furo[2,3-b]pyran-6b,7,8,14(9H,10aH)-tetrol

Molecular Formula

C25H36O6

Molecular Mass

432.55

Cite this Page

rel-(-)-(3bR,6aR,11aS,11bR,13aR)-1,2,3b,4,6a,11a,11b,12,13,13a-Decahydro-11b,13a-dimethyl-3-(1-methylethyl)-6,8-methano-7H-indeno[5′′,4′′:3′,4′]cyclohepta[1′,2′:4,5]furo[2,3-b]pyran-6b,7,8,14(9H,10aH)-tetrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178120-47-3 (retrieved 2024-11-23) (CAS RN: 178120-47-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C25H36O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-21,26-29H,6-11H2,1-4H3/t15-,17-,18?,19+,20?,21?,22-,23-,24?,25?/s2

InChIKey

InChIKey=YUCYEVHMFBEBSC-KIDRKITJNA-N

SMILES

OC12[C@]3([C@]4([C@@]5(C)[C@](CC=C3C(O)C(O)(C1O)COC2(O4)[H])(C=6[C@@](C)(CC5)CCC6C(C)C)[H])[H])[H]

Canonical SMILES

OC1C2=CCC3C4=C(CCC4(C)CCC3(C)C5OC6OCC1(O)C(O)C6(O)C25)C(C)C

Other Names for this Substance

  • 6,8-Methano-7H-indeno[5′′,4′′:3′,4′]cyclohepta[1′,2′:4,5]furo[2,3-b]pyran-6b,7,8,14(9H,10aH)-tetrol, 1,2,3b,4,6a,11a,11b,12,13,13a-decahydro-11b,13a-dimethyl-3-(1-methylethyl)-, (3bR,6aR,11aS,11bR,13aR)-rel-(-)-
  • 6,8-Methano-7H-indeno[5′′,4′′:3′,4′]cyclohepta[1′,2′:4,5]furo[2,3-b]pyran-6b,7,8,14(9H,10aH)-tetrol, 1,2,3b,4,6a,11a,11b,12,13,13a-decahydro-11b,13a-dimethyl-3-(1-methylethyl)-
  • rel-(-)-(3bR,6aR,11aS,11bR,13aR)-1,2,3b,4,6a,11a,11b,12,13,13a-Decahydro-11b,13a-dimethyl-3-(1-methylethyl)-6,8-methano-7H-indeno[5′′,4′′:3′,4′]cyclohepta[1′,2′:4,5]furo[2,3-b]pyran-6b,7,8,14(9H,10aH)-tetrol
  • Erinacin F

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