(Q105243835)

English

[(1R,2S,4R,9R,10S,13R,14R)-2,14-dihydroxy-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl 2-phenylacetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

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mass

440.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₄

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canonical SMILES

O=C(OCC1(O)CC23CC1CCC3C4(C)CCCC(C)(C)C4CC2O)CC=5C=CC=CC5

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isomeric SMILES

CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)COC(=O)Cc3ccccc3)[C@@H](O)C[C@H]12

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found in taxon

Isodon sculponeatus

1 reference

stated in

New terpenoids from Isodon sculponeata.

Identifiers

InChI

InChI=1S/C28H40O4/c1-25(2)12-7-13-26(3)21-11-10-20-16-27(21,23(29)15-22(25)26)17-28(20,31)18-32-24(30)14-19-8-5-4-6-9-19/h4-6,8-9,20-23,29,31H,7,10-18H2,1-3H3/t20-,21+,22-,23+,26+,27-,28+/m1/s1

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InChIKey

RQZFFMTZMGJLHA-ZXUQJNMHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RQZFFMTZMGJLHA-ZXUQJNMHSA-N

1 reference

(Q105243835)

[(1R,2S,4R,9R,10S,13R,14R)-2,14-dihydroxy-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl 2-phenylacetate

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Identifiers

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