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8-Hydroxydiadinochrome

View entire compound with spectra: 3 MS (GC)

8-Hydroxydiadinochrome
SpectraBase Compound ID 9ve3ur5VciF
InChI InChI=1S/C40H54O4/c1-29(18-12-13-23-40(43)28-36-38(7,8)26-34(42)27-39(36,9)44-40)16-10-11-17-30(2)19-14-20-31(3)21-15-22-35-32(4)24-33(41)25-37(35,5)6/h10-14,16-20,23,28,33-34,41-43H,21,24-27H2,1-9H3/b11-10+,18-12+,19-14+,23-13+,29-16+,30-17+,31-20+/t33-,34?,39-,40?/m1/s1
InChIKey YMDPXMZWMQMIIO-DZQVCTNMSA-N
Mol Weight 598.9 g/mol
Molecular Formula C40H54O4
Exact Mass 598.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59ZdQrVEw4S
Name 8-Hydroxydiadinochrome
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O4
InChI InChI=1S/C40H54O4/c1-29(18-12-13-23-40(43)28-36-38(7,8)26-34(42)27-39(36,9)44-40)16-10-11-17-30(2)19-14-20-31(3)21-15-22-35-32(4)24-33(41)25-37(35,5)6/h10-14,16-20,23,28,33-34,41-43H,21,24-27H2,1-9H3/b11-10+,18-12+,19-14+,23-13+,29-16+,30-17+,31-20+/t33-,34?,39-,40?/m1/s1
InChIKey YMDPXMZWMQMIIO-DZQVCTNMSA-N
Molecular Weight 598.868 g/mol
SMILES OC1CC(C=2[C@](OC(C2)(\C=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(CC#CC2=C(C[C@](CC2(C)C)(O)[H])C)C)C)C)O)(C1)C)(C)C
SPLASH splash10-0159-0930030000-b58351741a93bf3933f5
Source of Spectrum SB-48-158-8
Synonyms Hydroxydiadinochrome (7aR)-2-{(1E,3E,5E,7E,9E,11E,13E)-17-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-5,10,14-trimethyl-1,3,5,7,9,11,13-heptadecaheptaen-16-ynyl}-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2,6-diol
Wiley ID 1410020