(Q104985142)

English

[(1Z,2S,3aR,5S,6S,7S,7aR)-2-acetyloxy-1-ethylidene-6-hydroxy-4-methylidene-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-inden-5-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2-acetyloxy-1-ethylidene-6-hydroxy-4-methylidene-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-inden-5-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₅

0 references

canonical SMILES

O=C(OC1C(=C)C2CC(OC(=O)C)C(=CC)C2C(C1O)C(C)C)C(=CC)C

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isomeric SMILES

C=C1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)[C@@H](OC(C)=O)C[C@@H]12

0 references

found in taxon

Acrisione denticulata

2 references

stated in

Oplopane derivatives from Acrisione denticulata

stated in

Cacalol derivatives from dominicanSenecio species

Identifiers

InChI

InChI=1S/C22H32O5/c1-8-12(5)22(25)27-21-13(6)16-10-17(26-14(7)23)15(9-2)19(16)18(11(3)4)20(21)24/h8-9,11,16-21,24H,6,10H2,1-5,7H3/b12-8-,15-9+/t16-,17-,18-,19+,20-,21-/m0/s1

0 references

InChIKey

DMKWYRZGHSTPBR-YWMJTURMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DMKWYRZGHSTPBR-YWMJTURMSA-N

(Q104985142)

[(1Z,2S,3aR,5S,6S,7S,7aR)-2-acetyloxy-1-ethylidene-6-hydroxy-4-methylidene-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-inden-5-yl] (Z)-2-methylbut-2-enoate

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