(Q105274667)

English

(1S,3R,6S,8R,12R,13R,15R,16R,18S)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-13,18-dihydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

15-(5,6-Dihydroxy-6-methyl-4-oxoheptan-2-yl)-13,18-dihydroxy-7,7,12,16-tetramethyl-6-(3,4,5-trihydroxyoxan-2-yl)oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one

1 reference

based on heuristic

inferred from SMILES

650.366612548 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₄O₁₁

0 references

canonical SMILES

O=C(CC(C)C1C(=O)C(O)C2(C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC64CC36C(O)CC12C)C)C(O)C(O)(C)C

0 references

isomeric SMILES

C[C@H](CC(=O)[C@H](O)C(C)(C)O)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35[C@@H](O)C[C@]12C

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Actaea cimicifuga

1 reference

Constituents of cimicifugae rhizoma II. Isolation and structures of new cycloartenol triterpenoids and related compounds from Cimicifuga foetida L

Identifiers

InChI=1S/C35H54O11/c1-16(12-17(36)27(42)31(4,5)44)23-25(40)28(43)33(7)20-9-8-19-30(2,3)22(46-29-26(41)24(39)18(37)14-45-29)10-11-34(19)15-35(20,34)21(38)13-32(23,33)6/h9,16,18-19,21-24,26-29,37-39,41-44H,8,10-15H2,1-7H3/t16-,18-,19+,21+,22+,23+,24+,26-,27+,28+,29+,32-,33-,34-,35+/m1/s1

0 references

UKLWWAWPXSXYQS-ZHQISQGTSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

UKLWWAWPXSXYQS-ZHQISQGTSA-N

UniChem compound ID

1 reference

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