(Q104398935)

English

[(1S,3R,4R,6S,8S,10S,13R,14R,16R)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidene-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-16-yl acetate

1 reference

based on heuristic

inferred from SMILES

[(3R,4R,6S,8S,10S,14R,16S)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidene-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

394.235538808 dalton

1 reference

1 reference

[(1S,3R,4S,6R,8S,10S,13R,14R,16S)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidene-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₆

0 references

canonical SMILES

O=C(OC1C2CCC3C(=C)C4CC(O)C(C)(C)C4(O)C(O)CC31CC2(O)C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Rhododendron decorum

2 references

stated in

A new 1,5-seco grayanotoxin from Rhododendron decorum

stated in

A new grayanane diterpenoid from Rhododendron decorum

Kalmia angustifolia

1 reference

stated in

High field 1H- and 13C-nmr assignments of grayanotoxins I, IV, and XIV isolated from Kalmia angustifolia

Identifiers

InChI

InChI=1S/C22H34O6/c1-11-13-6-7-14-18(28-12(2)23)21(13,10-20(14,5)26)9-17(25)22(27)15(11)8-16(24)19(22,3)4/h13-18,24-27H,1,6-10H2,2-5H3/t13-,14+,15-,16-,17-,18+,20+,21-,22-/m0/s1

0 references

InChIKey

RVBLUTOAMOFHON-AVSXDVEWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RVBLUTOAMOFHON-AVSXDVEWSA-N

1 reference

(Q104398935)

[(1S,3R,4R,6S,8S,10S,13R,14R,16R)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidene-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate

Statements

Identifiers

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