(Q105249492)

English

1-O-[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-O-[(1R,4R,9R,10S,13R,15R)-5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] propanedioate

chemical compound

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instance of

type of chemical entity

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subclass of

1-O-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-O-(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate

1 reference

based on heuristic

inferred from SMILES

mass

510.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₀O₄

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canonical SMILES

O=C(OC1C(=C)C2CCC3C4(C)CCCC(C)(C)C4CCC13C2)CC(=O)OC5CC6(C)CCC5C6(C)C

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isomeric SMILES

C=C1[C@@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C2)[C@@H]1OC(=O)CC(=O)O[C@H]1C[C@]2(C)CC[C@H]1C2(C)C

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found in taxon

Nardia scalaris

1 reference

stated in

Diterpene malonates and other terpenes from Nardia succulenta and N. scalaris

Identifiers

InChI

InChI=1S/C33H50O4/c1-20-21-9-10-25-32(7)14-8-13-29(2,3)24(32)12-16-33(25,18-21)28(20)37-27(35)17-26(34)36-23-19-31(6)15-11-22(23)30(31,4)5/h21-25,28H,1,8-19H2,2-7H3/t21-,22-,23+,24-,25+,28-,31+,32-,33-/m1/s1

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InChIKey

SBKBVXWHVIOGEI-QZWOFAIGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105249492)

1-O-[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-O-[(1R,4R,9R,10S,13R,15R)-5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] propanedioate

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