(Q105274896)

English

3-[(1S,4aR,5S,6S,8aR)-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

426.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(1S,4aR,5S,6S,8aS)-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₇H₃₈O₄

0 references

canonical SMILES

O=C1C=C(C(=O)C(=C1)CC2(C)C(C)CCC3(C)C(C(=C(C)C)CCC23)CCC(=O)O)C

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isomeric SMILES

CC1=CC(=O)C=C(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=C(C)C)CC[C@H]23)C1=O

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found in taxon

Stypopodium zonale

1 reference

stated in

Stypolactone, an Interesting Diterpenoid from the Brown Alga Stypopodium zonale

Identifiers

InChI

InChI=1S/C27H38O4/c1-16(2)21-7-9-23-26(5,22(21)8-10-24(29)30)12-11-18(4)27(23,6)15-19-14-20(28)13-17(3)25(19)31/h13-14,18,22-23H,7-12,15H2,1-6H3,(H,29,30)/t18-,22+,23-,26-,27-/m0/s1

0 references

InChIKey

UKTQYWBDQDXWDJ-OKCOMGSXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105274896)

3-[(1S,4aR,5S,6S,8aR)-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

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