(Q105345647)

English

[(1S,2S,4R,5S,7R,8S,10S,11S,12S,14R,16S)-7,12-diacetyloxy-14,16-dihydroxy-6,6,10-trimethyl-15-methylidene-3-oxapentacyclo[12.2.1.01,11.02,4.05,10]heptadecan-8-yl] 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

492.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₉

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canonical SMILES

O=C(OC1CC2(C)C(C3OC3C45CC(O)(C(=C)C4O)CC(OC(=O)C)C25)C(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]1O[C@H]13

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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/C26H36O9/c1-11-20(30)26-10-25(11,31)9-15(32-12(2)27)18(26)24(7)8-16(33-13(3)28)21(34-14(4)29)23(5,6)19(24)17-22(26)35-17/h15-22,30-31H,1,8-10H2,2-7H3/t15-,16-,17+,18-,19+,20+,21-,22+,24-,25-,26-/m0/s1

0 references

InChIKey

YAWUIQGSXZDPBO-JYIRPIPFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YAWUIQGSXZDPBO-JYIRPIPFSA-N

(Q105345647)

[(1S,2S,4R,5S,7R,8S,10S,11S,12S,14R,16S)-7,12-diacetyloxy-14,16-dihydroxy-6,6,10-trimethyl-15-methylidene-3-oxapentacyclo[12.2.1.01,11.02,4.05,10]heptadecan-8-yl] acetate

Statements

Identifiers

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