[(2S,4R,4aS,4bS,8aS,10aR)-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-4-yl] 3-methylbut-2-enoate (Q105188078)

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chemical compound

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Language	Label	Description	Also known as
English	[(2S,4R,4aS,4bS,8aS,10aR)-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-4-yl] 3-methylbut-2-enoate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

(2-Ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-4-yl) 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

388.29774514 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₃

0 references

canonical SMILES

O=C(OC1CC(C=C)(C)CC2(O)CCC3C(C)(C)CCCC3(C)C12)C=C(C)C

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isomeric SMILES

C=C[C@@]1(C)C[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(O)C1

0 references

found in taxon

Senecio subrubriflorus

1 reference

stated in

Sandaracopimarene derivatives from Senecio subrubriflorus

Identifiers

InChI

InChI=1S/C25H40O3/c1-8-23(6)15-18(28-20(26)14-17(2)3)21-24(7)12-9-11-22(4,5)19(24)10-13-25(21,27)16-23/h8,14,18-19,21,27H,1,9-13,15-16H2,2-7H3/t18-,19+,21-,23+,24+,25-/m1/s1

0 references

InChIKey

NZIRCUCUDKIHHI-UCBWPVFZSA-N

0 references

PubChem CID

162926747

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

NZIRCUCUDKIHHI-UCBWPVFZSA-N

 

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