(Q105150026)

English

[1,7-diacetyloxy-17-(5,6-dihydroxy-7,7-dimethyloxepan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

group of stereoisomers with the chemical formula C₄₁H₅₈O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

apotirucallane triterpenoid

1 reference

inferred from

apotirucallane triterpenoid

mass

694.408083436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₅₈O₉

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)C3CCC4(C(=CCC4C5COC(C)(C)C(O)C(O)C5)C3(C)C(OC(=O)C)CC2C1(C)C)C)C=6C=CC=CC6

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found in taxon

Melia azedarach

3 references

stated in

The structure of 1-cinnamoylmelianolone, a new insecticidaltetranortriterpenoid, from L. (Meliaceae)

stated in

Tetracyclic triterpenoids from Melia azedarach, L.—III

stated in

Neue Tetranortriterpenoide ausMelia azedarach Linn. (Meliaceae)

Azadirachta indica

1 reference

stated in

New bioactive triterpenoids from Melia volkensii

Melia volkensii

1 reference

stated in

Two new meliacarpinins from the roots of Melia azedarach

Identifiers

InChI

InChI=1S/C41H58O9/c1-23(42)48-33-20-31-37(3,4)32(50-36(46)25-13-11-10-12-14-25)21-34(49-24(2)43)41(31,9)30-17-18-39(7)27(15-16-29(39)40(30,33)8)26-19-28(44)35(45)38(5,6)47-22-26/h10-14,16,26-28,30-35,44-45H,15,17-22H2,1-9H3

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InChIKey

LCWARTZNQSKAAQ-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LCWARTZNQSKAAQ-UHFFFAOYSA-N

(Q105150026)

[1,7-diacetyloxy-17-(5,6-dihydroxy-7,7-dimethyloxepan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Statements

Identifiers

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