MZXCAKUNUVJPJS-RYYLEPEISA-N

SpectraBase Compound ID	JgCiBuOD2pL
InChI	InChI=1S/C29H42O7/c1-16(30)33-25-18-8-9-23-28(5,13-10-22-27(3,4)11-7-12-29(22,23)6)20(18)15-21(35-25)19-14-24(32)36-26(19)34-17(2)31/h14,18,20-23,25-26H,7-13,15H2,1-6H3/t18-,20+,21+,22?,23?,25-,26?,28-,29-/m0/s1
InChIKey	MZXCAKUNUVJPJS-RYYLEPEISA-N Google Search
Mol Weight	502.6 g/mol
Molecular Formula	C29H42O7
Exact Mass	502.293054 g/mol

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SpectraBase Spectrum ID	61WkXHiLutb
Name	(25S / 25R)-Cavernosolide - acetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H42O7
InChI	InChI=1S/C29H42O7/c1-16(30)33-25-18-8-9-23-28(5,13-10-22-27(3,4)11-7-12-29(22,23)6)20(18)15-21(35-25)19-14-24(32)36-26(19)34-17(2)31/h14,18,20-23,25-26H,7-13,15H2,1-6H3/t18-,20+,21+,22?,23?,25-,26?,28-,29-/m0/s1
InChIKey	MZXCAKUNUVJPJS-RYYLEPEISA-N
Molecular Weight	502.648 g/mol
SMILES	C=1(C(OC(C1)=O)OC(=O)C)[C@@]1(O[C@](OC(=O)C)([C@@]2([C@]([C@]3(C([C@]4(CCCC(C4CC3)(C)C)C)CC2)C)(C1)[H])[H])[H])[H]
SPLASH	splash10-00dl-0900000000-7c1a70cb31a60b57ed1d
Source of Spectrum	G4-60-846-3
Synonyms	(25R / 25S)-Cavernosolide - acetate Acetic acid [(1R,3R,4aR,4bS,10aS,12aS)-3-(2-acetyloxy-5-oxo-2H-furan-3-yl)-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f][2]benzopyran-1-yl] ester [(1R,3R,4aR,4bS,10aS,12aS)-3-(2-acetyloxy-5-oxo-2H-furan-3-yl)-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate [(1R,3R,4aR,4bS,10aS,12aS)-3-(2-acetoxy-5-oxo-2H-furan-3-yl)-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] acetate [(1R,3R,4aR,4bS,10aS,12aS)-3-(2-acetyloxy-5-oxidanylidene-2H-furan-3-yl)-4b,7,7,10a-tetramethyl-1,3,4,4a,5,6,6a,8,9,10,10b,11,12,12a-tetradecahydronaphtho[2,1-f]isochromen-1-yl] ethanoate
Wiley ID	1606773