(Q104972314)

English

(Z,6R)-6-[(1S,3R,6R,8S,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

6-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

(2Z)-6-[(3R,6S,15R,16R)-6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

6-[(1S,3R,8R,11R,12S,16R)-6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

(E,6R)-6-[(1S,3R,6S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,6R)-6-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

(2E,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C

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isomeric SMILES

C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O

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found in taxon

Schisandra sphenanthera

1 reference

stated in

Terpenes from Schisandra sphenanthera

Identifiers

InChI

InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9-/t19-,21-,22-,23-,24-,27-,28+,29-,30+/m1/s1

0 references

InChIKey

CYHOTEDWAOHQLA-ALJJCDFCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CYHOTEDWAOHQLA-ALJJCDFCSA-N

(Q104972314)

(Z,6R)-6-[(1S,3R,6R,8S,11R,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

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Identifiers

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