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Cryptophycin-30
SpectraBase Compound ID AayP8sD1gMH
InChI InChI=1S/C35H45ClN2O8/c1-21(2)15-31-35(43)45-30(22(3)11-12-24-9-7-6-8-10-24)18-26(39)19-32(40)38-28(33(41)37-20-23(4)34(42)46-31)17-25-13-14-29(44-5)27(36)16-25/h6-14,16,21-23,26,28,30-31,39H,15,17-20H2,1-5H3,(H,37,41)(H,38,40)/b12-11+/t22?,23-,26-,28-,30+,31+/m1/s1
InChIKey JFPRSGZLRPUHFQ-KIMIFVSQSA-N
Mol Weight 657.2 g/mol
Molecular Formula C35H45ClN2O8
Exact Mass 656.286444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtarJrHsgaX
Name Cryptophycin-30
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H45ClN2O8
InChI InChI=1S/C35H45ClN2O8/c1-21(2)15-31-35(43)45-30(22(3)11-12-24-9-7-6-8-10-24)18-26(39)19-32(40)38-28(33(41)37-20-23(4)34(42)46-31)17-25-13-14-29(44-5)27(36)16-25/h6-14,16,21-23,26,28,30-31,39H,15,17-20H2,1-5H3,(H,37,41)(H,38,40)/b12-11+/t22?,23-,26-,28-,30+,31+/m1/s1
InChIKey JFPRSGZLRPUHFQ-KIMIFVSQSA-N
Molecular Weight 657.204 g/mol
SMILES O[C@]1(CC(N[C@@](C(NC[C@](C(O[C@](C(O[C@@](C1)(C(\C=C\c1ccccc1)C)[H])=O)(CC(C)C)[H])=O)(C)[H])=O)(Cc1cc(Cl)c(cc1)OC)[H])=O)[H]
SPLASH splash10-053s-0910000000-c431105cb4c39305dc57
Source of Spectrum C-117-12042-8
Synonyms (3S,6R,10R,14R,16S)-10-(3-chloro-4-methoxybenzyl)-14-hydroxy-3-isobutyl-6-methyl-16-[(2E)-1-methyl-3-phenyl-2-propenyl]-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone
Wiley ID 759281