(Q105233320)

English

[(1S,4aS,4bS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(1,4a-Dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

370.287180456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₂

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C3C(C=C(CC3)C(C)C)=CCC12)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12

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found in taxon

Solidago rugosa

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stated in

Diterpenes from Solidago rugosa

Identifiers

InChI

InChI=1S/C25H38O2/c1-7-18(4)23(26)27-16-24(5)13-8-14-25(6)21-11-9-19(17(2)3)15-20(21)10-12-22(24)25/h7,10,15,17,21-22H,8-9,11-14,16H2,1-6H3/b18-7+/t21-,22-,24-,25+/m1/s1

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InChIKey

RBSYKCMZHUVTOE-OZKQDAPRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RBSYKCMZHUVTOE-OZKQDAPRSA-N

1 reference

(Q105233320)

[(1S,4aS,4bS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl (E)-2-methylbut-2-enoate

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