For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6H-Dibenzo[b,d]pyran-9-acetic acid, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-.alpha.-oxo-3-pentyl-, methyl ester, (6aR-trans)-
SpectraBase Compound ID BzkBrCk01kN
InChI InChI=1S/C23H30O5/c1-5-6-7-8-14-11-18(24)20-16-13-15(21(25)22(26)27-4)9-10-17(16)23(2,3)28-19(20)12-14/h9,11-12,16-17,24H,5-8,10,13H2,1-4H3/t16-,17-/m1/s1
InChIKey NWHGDLWURUDFPH-IAGOWNOFSA-N
Mol Weight 386.49 g/mol
Molecular Formula C23H30O5
Exact Mass 386.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KFiuZFOKLys
Name 6H-Dibenzo[b,d]pyran-9-acetic acid, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-.alpha.-oxo-3-pentyl-, methyl ester, (6aR-trans)-
CAS Registry Number 128660-95-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O5
InChI InChI=1S/C23H30O5/c1-5-6-7-8-14-11-18(24)20-16-13-15(21(25)22(26)27-4)9-10-17(16)23(2,3)28-19(20)12-14/h9,11-12,16-17,24H,5-8,10,13H2,1-4H3/t16-,17-/m1/s1
InChIKey NWHGDLWURUDFPH-IAGOWNOFSA-N
Molecular Weight 386.488 g/mol
SMILES Oc1c2[C@]3([C@](C(Oc2cc(c1)CCCCC)(C)C)(CC=C(C3)C(C(=O)OC)=O)[H])[H]
SPLASH splash10-0a4i-9000000000-154f96b76a57e0aad10c
Source of Spectrum J-55-5713-10
Synonyms Methyl[(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl](oxo)acetate
Wiley ID 1362803