[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(ttl) DCAT-AP(jsonld) DCAT-AP-PLUS(xml) DCAT-AP-PLUS(tll) DCAT-AP-PLUS(jsonld)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Molecule

[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

Chemical Information

10 Related Dataset(s) ⌄

Neosolaniol; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+

Neosolaniol; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol96315
Source
Alternate Name	Neosolaniol 36519-25-2 Neozolaniol PLZ86LH7A6 NSC 197212 NSC-197212 Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 3 alpha hydroxy-4 beta,8 alpha,15-triacetoxy-12,13-epoxytrichothec-9-ene 4-beta,15-Diacetoxy-3-alpha,8-alpha-dihydroxy-12,13-epoxytrichothec-9-ene Trichothec-9-ene, 12,13-epoxy-4-beta,15-diacetoxy-3-alpha,8-alpha-dihydroxy- Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3.alpha.,4.beta.,8.alpha.)- 4-.beta.,15-Diacetoxy-3-.alpha.,8-.alpha.-dihydroxy-12,13-epoxytrichothec-9-ene Trichothec-9-ene, 12,13-epoxy-4-.beta.,15-diacetoxy-3-.alpha.,8-.alpha.-dihydroxy- Trichothec-9-ene-3-.alpha.,4-.beta.,8-.alpha.,15-tetrol, 12,13-epoxy-, 4,15-diacetate ((1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-4,10-dihydroxy-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-2-yl)methyl acetate 11'-(acetyloxy)-4',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.02,7)dodecan)-5'-en-2'-ylmethyl acetate 11'-(acetyloxy)-4',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-2'-ylmethyl acetate 4beta,15Diacetoxy3alpha,8alphadihydroxy12,13epoxytrichothec9ene Trichothec9ene3alpha,4beta,8alpha,15tetrol, 12,13epoxy, 4,15diacetate Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta,8alpha)- 621-390-4 tvzhdvctoczdne-diigptbusa-n tvzhdvctoczdne-uhfffaoysa-n Solaniol Solaniol (VAN) ((2S,2'R,3'R,4'S,5'S,5a'R,7'S,9a'R)-4'-acetoxy-3',7'-dihydroxy-5',8'-dimethyl-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate Solaniol (sesquiterpene) UNII-PLZ86LH7A6 Neosolaniol, reference material CHEMBL422680 MEGxm0_000186 ACon0_000395 ACon1_000821 MSK7229 TVZHDVCTOCZDNE-WVJYZQHISA-N MSK7229-100A BRN 3657281 NCGC00169326-01 NCGC00169326-03 BN162739 DA-66029 Neosolaniol solution in Acetonitrile, 100ug/mL BRD-K73788704-001-01-4 Q63399720

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
PLZ86LH7A6	FDA SRS
ZINC000027642641	ZINC
13818797	PubChem
PD044463	ProbesDrugs
70088131	NMRShiftDB
29539174	eMolecules
25718245	eMolecules
J54.419A	Nikkaji
MCULE-9654942913	Mcule
CHEMBL422680	ChEMBL
The data in this table is sourced from UniChem at EBI.