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ASTERTARONE-B;4-BETA-HYDROXY-4-EPISHION-21-EN-3-ONE;4-BETA-HYDROXY-4-EPISHIONONE
SpectraBase Compound ID 7deFlhMqeZB
InChI InChI=1S/C30H50O2/c1-21(2)10-9-14-25(3)16-19-28(6)23-13-15-29(7)22(11-12-24(31)30(29,8)32)27(23,5)18-17-26(28,4)20-25/h10,22-23,32H,9,11-20H2,1-8H3/t22-,23-,25+,26-,27-,28+,29-,30-/m0/s1
InChIKey SLSZTYZQTXBSEG-XWWGUGFNSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kYYgxIxJhx
Name Astertarone B
Alternate Name(s) (1R,4aS,4bR,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1-oxidanyl-4,4a,5,6,7,9,10,10b,11,12-decahydro-3H-chrysen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-21(2)10-9-14-25(3)16-19-28(6)23-13-15-29(7)22(11-12-24(31)30(29,8)32)27(23,5)18-17-26(28,4)20-25/h10,22-23,32H,9,11-20H2,1-8H3/t22-,23-,25+,26-,27-,28+,29-,30-/m0/s1
InChIKey SLSZTYZQTXBSEG-XWWGUGFNSA-N
Molecular Weight 442.728 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](CCC=C(C)C)(C)C4)C)C)C)(CCC1=O)[H])C)C
SPLASH splash10-014i-9020300000-86a922772a4ca6f8fb67
Source of Spectrum E2-47-1162-1
Wiley ID 1554930