| SpectraBase Compound ID | IVxv2ywRW4R |
|---|---|
| InChI | InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19+/m0/s1 |
| InChIKey | GROYKMASYUMFER-GESALYCCSA-N |
| Mol Weight | 382.37 g/mol |
| Molecular Formula | C21H18O7 |
| Exact Mass | 382.105253 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8sHfPlGo8J2 |
|---|---|
| Name | (5R,5aS,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one |
| CAS Registry Number | 55890-20-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H18O7 |
| InChI | InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19+/m0/s1 |
| InChIKey | GROYKMASYUMFER-GESALYCCSA-N |
| Molecular Weight | 382.368 g/mol |
| SMILES | c12[C@@](c3cc4OCOc4c(c3)OC)([C@@]3(C(OC[C@@]3(Cc2cc2c(c1)OCO2)[H])=O)[H])[H] |
| SPLASH | splash10-001i-0129000000-6deead55570de14c76e1 |
| Source of Spectrum | B-28-88-0 |
| Synonyms | Austrobailignan-1 7,8-(Methylenedioxy)-4-[3',4'-(methylenedioxy)-5'-methoxyphenyl]-tetrahydro-naptho[3,12-c]-(2'',5''-dihydro)-furan-2-one (5R,5aS,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one (5R-(5alpha,5aalpha,8aalpha))-5,8,8a,9-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)furo(3',4:6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one Austrobailignan 2 Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)-, (5R-(5alpha,5aalpha,8aalpha))- |
| Wiley ID | 1360526 |