| SpectraBase Spectrum ID |
DpTRB9naXOU |
| Name |
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[(1,1-dimethylethyl)thio]-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5S-(5.alpha.,5a.alpha.,8.beta.,9.beta.)]- |
| Alternate Name(s) |
(5S,5aR,9R)-9-(tert-butylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
3-Hydroxymethyl-6,7-methylenedioxy-4.beta.-t-butylthio-1-(3',4',5'-trimethoxyphenyl)-1,2,3,4-tetrahydro-2-naphthoic acid .gamma.-lactone |
| CAS Registry Number |
118627-03-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30O7S |
| InChI |
InChI=1S/C26H30O7S/c1-26(2,3)34-24-15-10-18-17(32-12-33-18)9-14(15)21(22-16(24)11-31-25(22)27)13-7-19(28-4)23(30-6)20(8-13)29-5/h7-10,16,21-22,24H,11-12H2,1-6H3/t16?,21-,22-,24-/m0/s1 |
| InChIKey |
RQOUSXIWLPKFGD-QYDLWWHXSA-N |
| Molecular Weight |
486.579 g/mol |
| SMILES |
C12[C@@]([C@@](c3cc(OC)c(c(c3)OC)OC)(c3c([C@@]1(SC(C)(C)C)[H])cc1c(OCO1)c3)[H])(C(=O)OC2)[H] |
| SPLASH |
splash10-000b-0008900000-9fcb490e55f9f4972175 |
| Source of Spectrum |
KC-1988-1622-22 |
| Wiley ID |
1396466 |
![Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[(1,1-dimethylethyl)thio]-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5S-(5.alpha.,5a.alpha.,8.beta.,9.beta.)]-](/api/spectrum/DpTRB9naXOU/structure.png?h=300&w=458 "Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[(1,1-dimethylethyl)thio]-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5S-(5.alpha.,5a.alpha.,8.beta.,9.beta.)]-")
