(Q105196006)

English

(1R,3S)-3-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

chemical compound

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instance of

type of chemical entity

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subclass of

3-[6-(2,4a,7,7-Tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R)-3-[(E)-6-[(4aR,8aS)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3S)-3-[6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CCC(=C)C(CCC(=CCCC2=C(C)CCC3(C)CCC(C)(C)CC23)C)C1(C)C

0 references

isomeric SMILES

C=C1CC[C@@H](O)C(C)(C)[C@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12

0 references

found in taxon

Oryza sativa

1 reference

stated in

Triterpene cyclases from Oryza sativa L.: cycloartenol, parkeol and achilleol B synthases

Identifiers

InChI

InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26-,27+,30-/m0/s1

0 references

InChIKey

OPDQSNQDIGJUIR-PAPAJTGESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OPDQSNQDIGJUIR-PAPAJTGESA-N

(Q105196006)

(1R,3S)-3-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

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