(Q104918462)

English

1alpha,4beta-Dihydroxy-1-methyl-7-isopropyl-1,2,3,3abeta,4,5,6,8aalpha-octahydroazulene-4-methanesulfonic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

[(1S,4R)-1,4-dihydroxy-7-isopropyl-1-methyl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]methanesulfonic acid

1 reference

based on heuristic

inferred from SMILES

[(1R,4S)-1,4-dihydroxy-7-isopropyl-1-methyl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]methanesulfonic acid

1 reference

based on heuristic

inferred from SMILES

(1,4-Dihydroxy-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-yl)methanesulfonic acid

1 reference

based on heuristic

inferred from SMILES

318.150094932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3aS,4R,8aS)-1,4-dihydroxy-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]methanesulfonic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₆O₅S

0 references

canonical SMILES

O=S(=O)(O)CC1(O)CCC(=CC2C1CCC2(O)C)C(C)C

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isomeric SMILES

CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@](O)(CS(=O)(=O)O)CC1

0 references

Alisma plantago-aquatica

1 reference

Sulfoorientalols a, b, c, and d, four new biologically active sesquiterpenes from Alismatis rhizoma

Identifiers

InChI=1S/C15H26O5S/c1-10(2)11-4-7-15(17,9-21(18,19)20)12-5-6-14(3,16)13(12)8-11/h8,10,12-13,16-17H,4-7,9H2,1-3H3,(H,18,19,20)/t12-,13+,14+,15+/m0/s1

0 references

ATJUNJLOOOPBEA-GBJTYRQASA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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