| SpectraBase Spectrum ID |
2TBJIIZZHJU |
| Name |
ACANTHOSESSILIGENIN_I;22-ALPHA-HYDROXY-3,4-SECO-LUPA-4-(23),20-(30)-DIENE-3,28-DIOIC_ACID_3-METHYLESTER |
| Compound Number |
1 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C31H48O5 |
| InChI |
InChI=1S/C31H48O5/c1-18(2)20-17-24(32)31(27(34)35)16-15-29(6)22(26(20)31)9-10-23-28(5,13-12-25(33)36-8)21(19(3)4)11-14-30(23,29)7/h20-24,26,32H,1,3,9-17H2,2,4-8H3,(H,34,35)/t20-,21-,22+,23+,24-,26+,28-,29+,30+,31+/m0/s1 |
| InChIKey |
NLQYJKRUOHDYPF-FZJIDXKTSA-N |
| Literature Reference Author |
D.Y.LEE,K.H.SEO,D.S.LEE,Y.C.KIM,I.S.CHUNG,G.W.KIM,D.S.CHEOI,
N.I.BAEK |
| Literature Reference Citation |
J.NAT.PROD.,75,1138(2012) |
| Literature Reference DOI |
10.1021/np3002173 |
| Molecular Weight |
500.719 g/mol |
| Sample ID |
41135 |
| Solvent |
C5D5N |
