(Q105361699)

English

[(1S,2R,3R,4S,6R,7S,9R,10S,11S,13S,15R)-2-acetyloxy-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidene-6-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

(2-Acetyloxy-3,7,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidene-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

452.241018112 dalton

1 reference

1 reference

C₂₄H₃₆O₈

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canonical SMILES

O=C(OC1C(O)CC2(C)C3C(O)CC4C(=C)C(O)C3(C4)C(OC(=O)C)C(O)C2C1(C)C)C

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isomeric SMILES

C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](C2)([C@@H]1O)[C@@H](OC(C)=O)[C@H](O)[C@@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H](O)C[C@@]13C

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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/C24H36O8/c1-10-13-7-14(27)17-23(6)9-15(28)20(31-11(2)25)22(4,5)18(23)16(29)21(32-12(3)26)24(17,8-13)19(10)30/h13-21,27-30H,1,7-9H2,2-6H3/t13-,14+,15+,16-,17+,18-,19-,20+,21+,23-,24+/m1/s1

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InChIKey

YTMAAGLOBUUNPD-ZFSLCSCHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YTMAAGLOBUUNPD-ZFSLCSCHSA-N

(Q105361699)

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

Statements

Identifiers

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