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6H-Dibenzo[b,d]pyran-1,9,10-triol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, 10-acetate, [6aR-(6a.alpha.,9.beta.,10a,10a.beta.)]-
SpectraBase Compound ID Ciz7FTPEsQ5
InChI InChI=1S/C23H34O5/c1-6-7-8-9-15-12-17(25)20-18(13-15)28-22(3,4)16-10-11-23(5,26)21(19(16)20)27-14(2)24/h12-13,16,19,21,25-26H,6-11H2,1-5H3/t16-,19-,21+,23+/m1/s1
InChIKey PAEIGIJJBBPJFT-ZLTNCQPASA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NkXEEiDc8D
Name 6H-Dibenzo[b,d]pyran-1,9,10-triol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, 10-acetate, [6aR-(6a.alpha.,9.beta.,10a,10a.beta.)]-
CAS Registry Number 60948-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-6-7-8-9-15-12-17(25)20-18(13-15)28-22(3,4)16-10-11-23(5,26)21(19(16)20)27-14(2)24/h12-13,16,19,21,25-26H,6-11H2,1-5H3/t16-,19-,21+,23+/m1/s1
InChIKey PAEIGIJJBBPJFT-ZLTNCQPASA-N
Molecular Weight 390.520 g/mol
SMILES Oc1cc(cc2c1[C@@]1([C@@]([C@](CC[C@]1(C(O2)(C)C)[H])(O)C)(OC(=O)C)[H])[H])CCCCC
SPLASH splash10-0904-0097000000-e3399eee79d908cf1338
Source of Spectrum H-59-1967-11
Synonyms (6aR,9S,10S,10aR)-1,9-dihydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-10-yl acetate 10.beta.-acetoxy-1,9.alpha.-dihydroxy-3-(n-pentyl)-6,6,9.beta.-trimethyl-6a,10a-trans-6a,7,8,9,10,10a-hexahydrodibenzo[b,d]pyran
Wiley ID 1364965