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

*Links on SpectraBase are not permalinks.
12b-Acetoxy-3,7,11,15,23-pentaoxo-5a-lanosta-8-en-26-oic acid ethyl ester
SpectraBase Compound ID CPE6ep8TuRu
InChI InChI=1S/C34H46O9/c1-10-42-30(41)18(3)14-20(36)13-17(2)21-15-25(39)34(9)26-22(37)16-23-31(5,6)24(38)11-12-32(23,7)27(26)28(40)29(33(21,34)8)43-19(4)35/h17-18,21,23,29H,10-16H2,1-9H3/t17-,18?,21-,23+,29-,32+,33+,34+/m1/s1
InChIKey FAKYHKLJJUJWQN-KLIFODMISA-N
Mol Weight 598.7 g/mol
Molecular Formula C34H46O9
Exact Mass 598.314183 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 8Gkhmwc76uy
Name 12b-Acetoxy-3,7,11,15,23-pentaoxo-5a-lanosta-8-en-26-oic acid ethyl ester
Alternate Name(s) Ethyl (6R)-6-((5R,10S,12S,13R,14R,17R)-12-acetoxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46O9
InChI InChI=1S/C34H46O9/c1-10-42-30(41)18(3)14-20(36)13-17(2)21-15-25(39)34(9)26-22(37)16-23-31(5,6)24(38)11-12-32(23,7)27(26)28(40)29(33(21,34)8)43-19(4)35/h17-18,21,23,29H,10-16H2,1-9H3/t17-,18?,21-,23+,29-,32+,33+,34+/m1/s1
InChIKey FAKYHKLJJUJWQN-KLIFODMISA-N
Molecular Weight 598.733 g/mol
SMILES C1(CC[C@@]2(C=3C([C@]([C@@]4([C@](CC([C@]4(C3C(C[C@]2(C1(C)C)[H])=O)C)=O)([C@@](CC(CC(C(=O)OCC)C)=O)(C)[H])[H])C)(OC(=O)C)[H])=O)C)=O
SPLASH splash10-0006-1936130000-4f6a85482561fbac5167
Source of Spectrum Chun-Ru Cheng, et al. Phytochemistry, V.71, 2010, P.1579-1585
Wiley ID 1817259