(Q105248586)

English

3-[(1S,2S,6S)-2-[2-[(1S,4aR,6S,8aR)-5,5,8a-trimethyl-2-methylidene-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[2-[2-[5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

588.402604132 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₆O₇

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canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CC=C(C)C1CCC2C(=C)CCC3C(C)(C)C(OCC4OC(O)C(O)C4O)CCC23C

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isomeric SMILES

C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](OC[C@H]4O[C@@H](O)[C@H](O)[C@H]4O)CC[C@]23C)[C@@]1(C)CCC(=O)O

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found in taxon

Lansium domesticum

1 reference

stated in

Structure of lansiosides: biologically active new triterpene glycosides from Lansium domesticum

Dysoxylum parasiticum

1 reference

stated in

Structure of lansiosides: biologically active new triterpene glycosides from Lansium domesticum

Identifiers

InChI

InChI=1S/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(36)37)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)41-19-26-30(38)31(39)32(40)42-26/h9,23-28,30-32,38-40H,1,4,10-19H2,2-3,5-8H3,(H,36,37)/t23-,24-,25-,26+,27-,28-,30-,31+,32+,34-,35+/m0/s1

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InChIKey

RZTSHMQCYJOXGT-RYEIPIAGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RZTSHMQCYJOXGT-RYEIPIAGSA-N

(Q105248586)

3-[(1S,2S,6S)-2-[2-[(1S,4aR,6S,8aR)-5,5,8a-trimethyl-2-methylidene-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid

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