botrydial

Chemical Formula:

C₁₇H₂₆O₅

Molecular Weight:

310.389 Daltons

Monoisotopic Mass:

310.1780239451 Daltons

SMILES:

CC2(CC(OC(C)=O)[CH]1(C(O)(C(C=O)(C)CC(C)(C)1)[CH](C=O)2))

InChI:

1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13?,14+,16-,17-/m1/s1

InChIKey:

SJFIYVCSGNWVPJ-CHLZOFCBSA-N

Synonyms

(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate

Databases

MetaCyc: CPD-11442

MetaboLights: MTBLC3159

LIPID MAPS: LMPR0103640001

ChEBI: 3159

PubChem (CID): 50986221

KNApSAcK: C00003104

CAS: 54986-75-3

KEGG: C09622

Seed: cpd06516

MetaNetX: MNXM44634