(Q105228930)

English

[(1S,2S)-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]-2-[(1R,2S,3S,7R,10S,12S,13R,15R,16S,17R,18R)-2,12,15-trihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.01,13.03,7.03,10.016,18]henicosan-17-yl]propyl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[1-(4-Methyl-5-oxooxolan-2-yl)-2-(2,12,15-trihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.01,13.03,7.03,10.016,18]henicosan-17-yl)propyl] acetate

1 reference

based on heuristic

inferred from SMILES

606.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₂O₁₂

0 references

canonical SMILES

O=C(OC(C1OC(=O)C(C)C1)C(C)C2C3C4(O)OC5(CCC23C)C(O)C67OC(=O)CC7OC(C)(C)C6CC(O)C5C4=O)C

0 references

isomeric SMILES

CC(=O)O[C@H]([C@@H]1C[C@@H](C)C(=O)O1)[C@@H](C)[C@@H]1[C@@H]2[C@@]3(O)O[C@@]4(CC[C@@]21C)[C@H](O)[C@]12OC(=O)C[C@H]1OC(C)(C)[C@@H]2C[C@H](O)[C@H]4C3=O

0 references

Schisandra propinqua

1 reference

Pre-schisanartanins C–D and propintrilactones A–B, two classes of new nortriterpenoids from Schisandra propinqua var. propinqua

Identifiers

InChI=1S/C31H42O12/c1-12-9-16(40-25(12)36)22(39-14(3)32)13(2)20-23-28(20,6)7-8-29-21(24(35)31(23,38)43-29)15(33)10-17-27(4,5)41-18-11-19(34)42-30(17,18)26(29)37/h12-13,15-18,20-23,26,33,37-38H,7-11H2,1-6H3/t12-,13+,15+,16+,17+,18-,20-,21+,22+,23+,26+,28-,29-,30-,31-/m1/s1

0 references

QVUWMLDZOFOLOE-GBSFDMTRSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

QVUWMLDZOFOLOE-GBSFDMTRSA-N

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