(Q105170980)

English

[(1S,4aR,5S,6S,8R,8aS)-6,8-dihydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6,8-dihydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

364.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aR,5R,6S,8R,8aS)-6,8-dihydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₄

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C(CCC(=C)C=C)C(O)(C)CC(O)C12)C

0 references

isomeric SMILES

C=CC(=C)CC[C@@H]1[C@@](C)(O)C[C@@H](O)[C@@H]2[C@@](C)(COC(C)=O)CCC[C@@]12C

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found in taxon

Sideritis arborescens

1 reference

stated in

Diterpenoids from Sideritis foetens

Sideritis lasiantha

1 reference

stated in

Diterpenoids from Sideritis foetens

Identifiers

InChI

InChI=1S/C22H36O4/c1-7-15(2)9-10-18-21(5)12-8-11-20(4,14-26-16(3)23)19(21)17(24)13-22(18,6)25/h7,17-19,24-25H,1-2,8-14H2,3-6H3/t17-,18+,19-,20-,21+,22+/m1/s1

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InChIKey

MRXATOOQJXMMFT-HJEMKOJISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MRXATOOQJXMMFT-HJEMKOJISA-N

(Q105170980)

[(1S,4aR,5S,6S,8R,8aS)-6,8-dihydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate

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