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TERRITREM-B
SpectraBase Compound ID Crhg3ewCFbX
InChI InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1
InChIKey PBXNNDFKPQPJBB-VJLHXPKFSA-N
Mol Weight 526.6 g/mol
Molecular Formula C29H34O9
Exact Mass 526.220283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTA8VX8glmt
Name (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34O9
InChI InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1
InChIKey PBXNNDFKPQPJBB-VJLHXPKFSA-N
Molecular Weight 526.582 g/mol
SMILES O[C@@]12[C@@]([C@@]3([C@@](CC2)(OC2=C(C3)C(OC(c3cc(OC)c(c(c3)OC)OC)=C2)=O)C)O)(C(C=CC1(C)C)=O)C
SPLASH splash10-052f-0301890000-db32c7a98b99a5ae2062
Source of Spectrum X2-55-254-2
Synonyms Territrem B
Wiley ID 1604346