(Q105000470)

English

(1R,3S,12S,14S,15S,16S,17S,19R)-19-hydroxy-4,4,16-trimethyl-14,15,17-tris(3-methylbut-2-enyl)hexacyclo[10.6.1.11,14.03,12.05,10.016,19]icosa-5,7,9-triene-11,13,20-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

568.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₈O₄

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canonical SMILES

O=C1C=2C=CC=CC2C(C)(C)C3CC45C(=O)C6(C(=O)C13C4(O)C(C)(C(CC=C(C)C)C5)C6CC=C(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CC[C@H]1C[C@]23C[C@H]4C(C)(C)c5ccccc5C(=O)[C@]45C(=O)[C@](CC=C(C)C)(C2=O)[C@@H](CC=C(C)C)[C@@]1(C)[C@]53O

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found in taxon

Hypericum henryi

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stated in

Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi

Identifiers

InChI

InChI=1S/C38H48O4/c1-22(2)14-16-25-20-35-21-29-33(7,8)27-13-11-10-12-26(27)30(39)37(29)32(41)36(31(35)40,19-18-24(5)6)28(17-15-23(3)4)34(25,9)38(35,37)42/h10-15,18,25,28-29,42H,16-17,19-21H2,1-9H3/t25-,28-,29-,34-,35-,36-,37-,38+/m0/s1

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InChIKey

FRWGISBSKMFIAA-AWZDDDOZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FRWGISBSKMFIAA-AWZDDDOZSA-N

1 reference

(Q105000470)

(1R,3S,12S,14S,15S,16S,17S,19R)-19-hydroxy-4,4,16-trimethyl-14,15,17-tris(3-methylbut-2-enyl)hexacyclo[10.6.1.11,14.03,12.05,10.016,19]icosa-5,7,9-triene-11,13,20-trione

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Identifiers

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