(Q105153140)

English

[(2S,3S,4aS,5R,8aS)-3-hydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-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

[3-hydroxy-1,1,4a-trimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3R,4aR,5S,8aS)-3-hydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3beta-Acetoxylabda-8(20),12E,14-trien-2alpha-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₃

0 references

canonical SMILES

O=C(OC1C(O)CC2(C)C(C(=C)CCC2C1(C)C)CC=C(C=C)C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Plectranthus fruticosus

1 reference

stated in

Further labdane and kaurane diterpenoids and other constituents from Plectranthus fruticosus

Identifiers

InChI

InChI=1S/C22H34O3/c1-8-14(2)9-11-17-15(3)10-12-19-21(5,6)20(25-16(4)23)18(24)13-22(17,19)7/h8-9,17-20,24H,1,3,10-13H2,2,4-7H3/b14-9-/t17-,18+,19-,20-,22+/m1/s1

0 references

InChIKey

LKMOGVWLLWEGRV-KPCHNIOPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LKMOGVWLLWEGRV-KPCHNIOPSA-N

1 reference

(Q105153140)

[(2S,3S,4aS,5R,8aS)-3-hydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

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