(Q105147961)

English

3-[(3R,3aR,5aR,6S,7S,9bR)-3a,6,9b-trimethyl-3-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[3a,6,9b-Trimethyl-3-(6-methyl-4-oxohept-5-en-2-yl)-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(3R,3aR,5aS,6S,7S,9bR)-3a,6,9b-trimethyl-3-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₃

0 references

canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CC=C2C1CCC3(C)C(CCC23C)C(C)CC(=O)C=C(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O

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found in taxon

Kadsura coccinea

1 reference

stated in

Lanostane-type triterpenoids from the roots of Kadsura coccinea

Identifiers

InChI

InChI=1S/C30H46O3/c1-19(2)17-22(31)18-21(5)24-11-15-30(8)26-10-9-23(20(3)4)28(6,14-13-27(32)33)25(26)12-16-29(24,30)7/h10,17,21,23-25H,3,9,11-16,18H2,1-2,4-8H3,(H,32,33)/t21-,23+,24-,25+,28+,29-,30+/m1/s1

0 references

InChIKey

KYVIMLZITXJGDJ-IYCLCXJYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KYVIMLZITXJGDJ-IYCLCXJYSA-N

1 reference

(Q105147961)

3-[(3R,3aR,5aR,6S,7S,9bR)-3a,6,9b-trimethyl-3-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

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