(Q105257924)

English

[(1S,2R,3R,4S,6R,7S,9S,10S,11S,13R,15S)-2,3,6,11-tetraacetyloxy-13,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

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mass

594.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₁₂

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canonical SMILES

O=C(OC1CC2(C)C3C(OC(=O)C)CC4(O)C(=C)C(O)C3(C4)C(OC(=O)C)C(OC(=O)C)C2C(C)(C)C1OC(=O)C)C

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isomeric SMILES

C=C1[C@@H](O)[C@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3OC(C)=O

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found in taxon

Isodon angustifolius

1 reference

stated in

Glabcensin V–Y, four ent-kaurane diterpenoids from Isodon angustifolius var. Glabrescens

Identifiers

InChI

InChI=1S/C30H42O12/c1-13-24(36)30-12-29(13,37)11-19(38-14(2)31)22(30)28(9)10-20(39-15(3)32)25(41-17(5)34)27(7,8)23(28)21(40-16(4)33)26(30)42-18(6)35/h19-26,36-37H,1,10-12H2,2-9H3/t19-,20-,21+,22-,23+,24+,25-,26-,28-,29-,30-/m0/s1

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InChIKey

SQHLQUKKSICXKX-RHLVLHRNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SQHLQUKKSICXKX-RHLVLHRNSA-N

(Q105257924)

[(1S,2R,3R,4S,6R,7S,9S,10S,11S,13R,15S)-2,3,6,11-tetraacetyloxy-13,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Statements

Identifiers

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