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(3'S,5 R)-Kryptocapsin

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(3'S,5 R)-Kryptocapsin
SpectraBase Compound ID 79W2xkoBoaL
InChI InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1
InChIKey ITZNDVRDABSNRE-VUWSZMCHSA-N
Mol Weight 568.9 g/mol
Molecular Formula C40H56O2
Exact Mass 568.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBqsrVhAVz4
Name (3'S,5 R)-Kryptocapsin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O2
InChI InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1
InChIKey ITZNDVRDABSNRE-VUWSZMCHSA-N
Literature Reference DOI 10.1002/hlca.19830660706
Molecular Weight 568.886 g/mol
SMILES O[C@@]1(C[C@@](C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=2C(CCCC2C)(C)C)C)C)C)C)=O)(C(C1)(C)C)C)[H]
SPLASH splash10-0aou-9700020000-a932bbbbab20401e08ee
Source of Spectrum H-66-1956-3
Synonyms (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohex-1-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Wiley ID 1797626