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

*Links on SpectraBase are not permalinks.
(3.beta.,5.alpha.,13.alpha.)-14,17-Epoxy-4,4,8-trimethyl-16,24-cyclo-13,17-secochola-16,20(22)-23-trien-3,23-diol(Stypodiol 1)
SpectraBase Compound ID vDaPbAtyDw
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-GFFKHZFLSA-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 uocfUWAcwE
Name (3.beta.,5.alpha.,13.alpha.)-14,17-Epoxy-4,4,8-trimethyl-16,24-cyclo-13,17-secochola-16,20(22)-23-trien-3,23-diol(Stypodiol 1)
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-GFFKHZFLSA-N
Molecular Weight 412.614 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3([C@](C4(Cc5cc(cc(c5O4)C)O)[C@](CC3)(C)[H])(CC[C@]2(C1(C)C)[H])C)[H])C)[H]
SPLASH splash10-03di-0020900000-5e2cf27e0a1bd95f2210
Source of Spectrum J-63-5106-1
Synonyms (2'S,4'aR,4'bS,7'S,8'aR,10'aR)-2',4'b,7,8',8',10'a-hexamethyl-3',4',4'a,4'b,5',6',7',8',8'a,9',10',10'a-dodecahydro-2'H,3H-spiro[1-benzofuran-2,1'-phenanthrene]-5,7'-diol
Wiley ID 1374669