(Q115971345)

English

(E,6R)-6-[(1S,3R,6R,8R,11R,12S,13R,15R,16R)-6,13-dihydroxy-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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Statements

instance of

type of chemical entity

0 references

subclass of

cycloartane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E,6R)-6-[(1S,3R,6S,8R,11R,12S,13R,15R,16R)-6,13-dihydroxy-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 InChI

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C(O)C(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C

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isomeric SMILES

C/C(=C\CC[C@@H](C)[C@H]1C[C@@H](O)[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

Abies chensiensis

1 reference

stated in

Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from Abies chensiensis and Their Antibacterial Activity

Identifiers

InChI

InChI=1S/C30H48O4/c1-18(8-7-9-19(2)25(33)34)20-16-24(32)28(6)22-11-10-21-26(3,4)23(31)12-13-29(21)17-30(22,29)15-14-27(20,28)5/h9,18,20-24,31-32H,7-8,10-17H2,1-6H3,(H,33,34)/b19-9+/t18-,20-,21+,22+,23-,24-,27-,28-,29-,30+/m1/s1

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InChIKey

VOAICDJSPHYTRW-USGZKMAYSA-N

0 references

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

VOAICDJSPHYTRW-USGZKMAYSA-N

1 reference

(Q115971345)

(E,6R)-6-[(1S,3R,6R,8R,11R,12S,13R,15R,16R)-6,13-dihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

Statements

Identifiers

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