(Q105028357)

English

3-[(3S,3aR,5aS,6S,7S,9aR,9bR)-3-[(2S,5S)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[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-[3-(2,5-Dihydroxy-6-methylhept-6-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₄

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canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C(CCC32C)C(O)(C)CCC(O)C(=C)C

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isomeric SMILES

C=C(C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C

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found in taxon

Alnus japonica

1 reference

stated in

Triterpenoids, diarylheptanoids and their glycosides in the flowers of Alnus species

Identifiers

InChI

InChI=1S/C30H50O4/c1-19(2)21-11-17-29(7)25(27(21,5)15-14-26(32)33)10-9-22-23(12-16-28(22,29)6)30(8,34)18-13-24(31)20(3)4/h21-25,31,34H,1,3,9-18H2,2,4-8H3,(H,32,33)/t21-,22+,23-,24-,25-,27-,28+,29+,30-/m0/s1

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InChIKey

HHLNMULUIBCHEA-BEQPVHHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HHLNMULUIBCHEA-BEQPVHHASA-N

(Q105028357)

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

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Identifiers

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