(Q104977777)

English

[(3S,6S,7R,10E,14E,18E,22S)-2,3,6,22,23-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-10,14,18-trien-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,3,6,22,23-Pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-10,14,18-trien-7-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

554.418254196 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₈O₇

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canonical SMILES

O=C(OC(CCC(=CCCC=C(C)CCC=C(C)CCC(O)C(O)(C)C)C)C(O)(C)CCC(O)C(O)(C)C)C

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isomeric SMILES

CC(=O)O[C@H](CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)[C@@](C)(O)CC[C@H](O)C(C)(C)O

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found in taxon

Entandrophragma cylindricum

1 reference

stated in

Sapelenins A, B and C, acyclic triterpenoids from the stem bark of Entandrophragma cylindricum

Identifiers

InChI

InChI=1S/C32H58O7/c1-23(15-12-16-25(3)17-19-27(34)30(5,6)36)13-10-11-14-24(2)18-20-29(39-26(4)33)32(9,38)22-21-28(35)31(7,8)37/h13-14,16,27-29,34-38H,10-12,15,17-22H2,1-9H3/b23-13+,24-14+,25-16+/t27-,28-,29+,32-/m0/s1

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InChIKey

DFDPNABUMAGSPU-VZOLTVJASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DFDPNABUMAGSPU-VZOLTVJASA-N

(Q104977777)

[(3S,6S,7R,10E,14E,18E,22S)-2,3,6,22,23-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-10,14,18-trien-7-yl] acetate

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Identifiers

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