Secondary metabolite: Sterhirsutin J



Sterhirsutin J
Summary
Molecular formula: C28H32O7
SMILES: CC(=CCc1c(O)cc(c(c1O)C(=O)OC1=C2C[C@@H]3[C@H]([C@@]2(C(=C)C1=O)C)C[C@@](C3)(C)C(=O)O)C)C
InChI: InChI=1S/C28H32O7/c1-13(2)7-8-17-20(29)9-14(3)21(23(17)31)25(32)35-24-18-10-16-11-27(5,26(33)34)12-19(16)28(18,6)15(4)22(24)30/h7,9,16,19,29,31H,4,8,10-12H2,1-3,5-6H3,(H,33,34)/t16-,19+,27-,28+/m0/s1
InChIKey: PXLMNSODUBZTGS-URYCSHDVSA-N
Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)C(OC(=O)c2ccccc2)=C2CC3CCCC3C12

Scaffold Graph/Node level:
CC1C(O)C(OC(O)C2CCCCC2)C2CC3CCCC3C12

Scaffold Graph level:
CC(CC1C(C)C(C)C2C3CCCC3CC12)C1CCCCC1
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names:
sterhirsutin j
External chemical identifiers:
CID_122377006; NPATLAS_NPA016525; CHEMSPIDER_78443708
Chemical structure download

Designed by R.P. Vivek-Ananth, M Karthikeyan and Ajaya Kumar Sahoo