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

*Links on SpectraBase are not permalinks.

STYPODIOL;(3-BETA,5-ALPHA,13-ALPHA)-14,17-EPOXY-4,4,8-TRIMETHYL-16,24-CYCLO-13,17-SECOCHOLA-16,20(22),23-TRIENE-3,23-DIOL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

STYPODIOL;(3-BETA,5-ALPHA,13-ALPHA)-14,17-EPOXY-4,4,8-TRIMETHYL-16,24-CYCLO-13,17-SECOCHOLA-16,20(22),23-TRIENE-3,23-DIOL
SpectraBase Compound ID EWavAqyqfO
InChI InChI=1S/C27H40O3/c1-16-13-19(28)14-18-15-27(30-23(16)18)17(2)7-8-21-25(5)11-10-22(29)24(3,4)20(25)9-12-26(21,27)6/h13-14,17,20-22,28-29H,7-12,15H2,1-6H3/t17-,20-,21+,22-,25-,26+,27-/m0/s1
InChIKey JTFQPSRKDMDRKT-LYIAKFBWSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 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 H6vLOuuLDPK
Name (2S,4aS,4bR,7S,8S,8aR,10aR)-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2,5'-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-16-13-19(28)14-18-15-27(30-23(16)18)17(2)7-8-21-25(5)11-10-22(29)24(3,4)20(25)9-12-26(21,27)6/h13-14,17,20-22,28-29H,7-12,15H2,1-6H3/t17-,20-,21+,22-,25-,26+,27-/m0/s1
InChIKey JTFQPSRKDMDRKT-LYIAKFBWSA-N
Molecular Weight 412.614 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3([C@]([C@]4(Cc5cc(cc(c5O4)C)O)[C@](CC3)(C)[H])(CC[C@]2(C1(C)C)[H])C)[H])C)[H]
SPLASH splash10-03di-0041900000-5b21cae40f9736f63440
Source of Spectrum J-63-5106-2
Synonyms (2S,4aS,4bR,7S,8S,8aR,10aR)-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-benzofuran]-2,5'-diol (2S,4aS,4bR,7S,8S,8aR,10aR)-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-coumaran]-2,5'-diol
Wiley ID 1374668