(Q105179247)

English

3-[[(3S,3aS,5aS,6S,7S,9aR,9bR)-3-(dimethoxymethyl)-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-(dimethoxymethyl)-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

based on heuristic

inferred from SMILES

mass

472.318874508 dalton

1 reference

2 references

inferred from InChIKey

1 reference

3-[[(3R,3aR,5aR,6R,7R,9aS,9bR)-3-(dimethoxymethyl)-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

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₅

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canonical SMILES

O=C(O)C1=CC=C(O)C(=C1)CC2(C)C(C)CCC3(C)C2CCC4(C)C3CCC4(C)C(OC)OC

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isomeric SMILES

COC(OC)[C@@]1(C)CC[C@H]2[C@]1(C)CC[C@H]1[C@@](C)(Cc3cc(C(=O)O)ccc3O)[C@@H](C)CC[C@]12C

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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/C29H44O5/c1-18-10-13-26(2)22(27(18,3)17-20-16-19(24(31)32)8-9-21(20)30)11-14-28(4)23(26)12-15-29(28,5)25(33-6)34-7/h8-9,16,18,22-23,25,30H,10-15,17H2,1-7H3,(H,31,32)/t18-,22+,23+,26+,27-,28-,29+/m0/s1

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InChIKey

NGZCNRIYOUJSLA-AZKYYOOMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NGZCNRIYOUJSLA-AZKYYOOMSA-N

(Q105179247)

3-[[(3S,3aS,5aS,6S,7S,9aR,9bR)-3-(dimethoxymethyl)-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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