(Q105343178)

English

(1R,4aalpha)-1beta-[(3S)-3-Hydroxy-3-methyl-4-pentenyl]decahydro-2,5,5,8abeta-tetramethylnaphthalene-2beta-ol

chemical compound

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instance of

type of chemical entity

0 references

1 reference

1 reference

1 reference

308.271530392 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,4aR,8aR)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,4aR,8aR)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,4aR,8aR)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

1 reference

1 reference

(1S,2R,4aS,8aR)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

1 reference

1 reference

(1S,2R,4aR,8aR)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

1 reference

based on heuristic

inferred from InChI

(1R,2R,4aR,8aS)-1-[(3R)-3-hydroxy-3-methyl-pent-4-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₆O₂

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canonical SMILES

OC(C=C)(C)CCC1C(O)(C)CCC2C(C)(C)CCCC12C

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isomeric SMILES

C=C[C@@](C)(O)CC[C@H]1[C@@](C)(O)CC[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

stated in

Five new diterpenoids, viteagnusins A--E, from the fruit of Vitex agnus-castus

Identifiers

InChI

InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20-/m0/s1

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InChIKey

XVULBTBTFGYVRC-NXHKRRBXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XVULBTBTFGYVRC-NXHKRRBXSA-N

1 reference

(Q105343178)

(1R,4aalpha)-1beta-[(3S)-3-Hydroxy-3-methyl-4-pentenyl]decahydro-2,5,5,8abeta-tetramethylnaphthalene-2beta-ol

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