(Q105124226)

English

3-[[(3S,3aS,5aS,6S,7S,9aR,9bS)-3-formyl-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl]-4-hydroxybenzoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[(3-formyl-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl)methyl]-4-hydroxybenzoic acid

1 reference

1 reference

426.277009696 dalton

1 reference

1 reference

C₂₇H₃₈O₄

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canonical SMILES

O=CC1(C)CCC2C3(C)CCC(C)C(C)(CC4=CC(=CC=C4O)C(=O)O)C3CCC21C

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isomeric SMILES

C[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC[C@]3(C)C=O)[C@@]1(C)Cc1cc(C(=O)O)ccc1O

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found in taxon

Nostoc commune

1 reference

stated in

Novel extracellular diterpenoids with biological activity from the cyanobacterium Nostoc commune

Identifiers

InChI

InChI=1S/C27H38O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,16-17,21-22,29H,8-13,15H2,1-5H3,(H,30,31)/t17-,21+,22-,24+,25+,26-,27-/m0/s1

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InChIKey

JBBYKAGPJLHVPI-VGYWNTROSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JBBYKAGPJLHVPI-VGYWNTROSA-N

(Q105124226)

3-[[(3S,3aS,5aS,6S,7S,9aR,9bS)-3-formyl-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl]-4-hydroxybenzoic acid

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