(Q105273471)

English

(2E,6R)-6-[(1R,3aR,5aR,7S,9aR,9bS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

lanostane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

456.36034539599996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(E,6S)-6-[(3R,5R,9S,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(Z,6S)-6-[(3S,5R,9S,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3beta-Masticadienolic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3Alpha-Hydroxymasticadienonic Acid

2 references

based on heuristic

inferred from InChIKey

1 reference

(Z,6S)-6-[(3R,5R,9S,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C)C

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isomeric SMILES

C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O

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Identifiers

InChI

InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,22-,24+,25+,28-,29-,30+/m1/s1

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InChIKey

UILQHUKSFUOOLH-KQVFLVHFSA-N

0 references

PubChem CID

46243632

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UILQHUKSFUOOLH-KQVFLVHFSA-N

1 reference

(Q105273471)

(2E,6R)-6-[(1R,3aR,5aR,7S,9aR,9bS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid

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