(Q105218672)

English

(2'R,3R,3aS,5R,7S,7aS)-3,5',7-trihydroxy-2',3,7-trimethyl-4'-[(2S)-2-methylbutanoyl]-2'-(3-methylbut-2-enyl)spiro[1,2,3a,4,6,7a-hexahydroindene-5,6'-cyclohex-4-ene]-1',3'-dione

chemical compound

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instance of

type of chemical entity

0 references

1 reference

460.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀O₆

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canonical SMILES

O=C(C=1C(=O)C(C(=O)C2(C1O)CC3C(CCC3(O)C)C(O)(C)C2)(C)CC=C(C)C)C(C)CC

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isomeric SMILES

CC[C@H](C)C(=O)C1=C(O)[C@]2(C[C@H]3[C@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C(=O)[C@@](C)(CC=C(C)C)C1=O

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found in taxon

Hypericum chinense

1 reference

stated in

Biyoulactones A-C, new pentacyclic meroterpenoids from Hypericum chinense

Hypericum japonicum

1 reference

stated in

Biyoulactones A-C, new pentacyclic meroterpenoids from Hypericum chinense

Identifiers

InChI

InChI=1S/C27H40O6/c1-8-16(4)20(28)19-21(29)24(5,11-9-15(2)3)23(31)27(22(19)30)13-18-17(26(7,33)14-27)10-12-25(18,6)32/h9,16-18,30,32-33H,8,10-14H2,1-7H3/t16-,17-,18-,24-,25+,26-,27+/m0/s1

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InChIKey

QCZFZWDBZKCYMB-SZCQCBDQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QCZFZWDBZKCYMB-SZCQCBDQSA-N

(Q105218672)

(2'R,3R,3aS,5R,7S,7aS)-3,5',7-trihydroxy-2',3,7-trimethyl-4'-[(2S)-2-methylbutanoyl]-2'-(3-methylbut-2-enyl)spiro[1,2,3a,4,6,7a-hexahydroindene-5,6'-cyclohex-4-ene]-1',3'-dione

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Identifiers

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