(Q105251904)

English

(5R,6S,8S,9S,10R,13R,16R)-6-Acetoxy-9,13-epoxy-16-hydroxy-16-methoxylabdane-15-oic acid 15,16-lactone

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

408.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R,6S,8S,9S,10R,13S,16R)-6-Acetoxy-9,13-epoxy-16-hydroxy-16-methoxylabdane-15-oic acid 15,16-lactone

1 reference

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₃H₃₆O₆

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canonical SMILES

O=C(OC1CC(C)C2(OC3(CC(=O)OC3OC)CC2)C4(C)CCCC(C)(C)C14)C

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isomeric SMILES

CO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C

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found in taxon

Vitex agnus-castus

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stated in

A new diterpenoid glucoside and two new diterpenoids from the fruit of Vitex agnus-castus

Vitex rotundifolia

1 reference

stated in

Ten new labdane-type diterpenes from the fruit of Vitex rotundifolia

Vitex trifolia

1 reference

stated in

Ten new labdane-type diterpenes from the fruit of Vitex rotundifolia

Identifiers

InChI

InChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3/t14-,16-,18+,19+,21+,22+,23-/m0/s1

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InChIKey

SFOHMBBFSBTGGN-FVMKRELQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SFOHMBBFSBTGGN-FVMKRELQSA-N

1 reference

(Q105251904)

(5R,6S,8S,9S,10R,13R,16R)-6-Acetoxy-9,13-epoxy-16-hydroxy-16-methoxylabdane-15-oic acid 15,16-lactone

Statements

Identifiers

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