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6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate
SpectraBase Compound ID 9EniLAs9PR0
InChI InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m1/s1
InChIKey UFCGDBKFOKKVAC-MEZUFTCHSA-N
Mol Weight 536.6 g/mol
Molecular Formula C30H32O9
Exact Mass 536.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 859DQCKPSpC
Name 6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate
CAS Registry Number 58546-56-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O9
InChI InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m1/s1
InChIKey UFCGDBKFOKKVAC-MEZUFTCHSA-N
Molecular Weight 536.577 g/mol
SMILES O[C@]1([C@@](c2c(-c3c(c4OCOc4cc3C[C@]1(C)[H])OC)c(c(c(OC)c2)OC)OC)(OC(=O)c1ccccc1)[H])C
SPLASH splash10-0gvx-0029120000-658f1e861cce0741ac05
Source of Spectrum CD-543-0-0
Synonyms (5S-(5alpha,6beta,7beta))-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol 5-benzoate Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, (5S-(5alpha,6beta,7beta))- Gomisin C Schisantherin A
Wiley ID 1404083