(Q105340880)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

364.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₄

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC(=C)C=C)C(O)(C)CCC2C1(C)CO)C

0 references

isomeric SMILES

C=CC(=C)CC[C@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(CO)[C@H](OC(C)=O)CC[C@]21C

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found in taxon

Sideritis hirsuta

1 reference

stated in

Diterpenoids from Sideritis hirsuta subsp. Nivalis

Identifiers

InChI

InChI=1S/C22H36O4/c1-7-15(2)8-9-18-20(4)12-11-19(26-16(3)24)21(5,14-23)17(20)10-13-22(18,6)25/h7,17-19,23,25H,1-2,8-14H2,3-6H3/t17-,18+,19+,20+,21+,22-/m0/s1

0 references

InChIKey

XRYNFDAYKUYUSP-OGDHSWOFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XRYNFDAYKUYUSP-OGDHSWOFSA-N

(Q105340880)

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

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