(Q105270184)

English

(1'S,2'S,4S,4'S,5'R,6'R,9'S,11'R,14'R,15'S,18'S,23'R)-9'-hydroxy-2,2,6',14',15'-pentamethyl-21'-methylidenespiro[1,3-dioxolane-4,10'-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane]-25'-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9'-Hydroxy-2,2,6',14',15'-pentamethyl-21'-methylidenespiro[1,3-dioxolane-4,10'-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane]-25'-one

1 reference

based on heuristic

inferred from SMILES

mass

512.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₄O₆

0 references

canonical SMILES

O=C1OC23C4OC4C5C6(C)CCC(O)C7(OC(OC7)(C)C)C6CCC5(C)C3(C)CCC18CCC(=C)CC82

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isomeric SMILES

C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)[C@@]6(COC(C)(C)O6)[C@@H]5CC[C@]24C)[C@@H]3C1

0 references

found in taxon

Paeonia veitchii

1 reference

stated in

Three Novel 24,30-Dinortriterpenoids, Paeonenoides A-C, fromPaeonia veitchii

Paeonia anomala

1 reference

stated in

Three Novel 24,30-Dinortriterpenoids, Paeonenoides A-C, fromPaeonia veitchii

Identifiers

InChI

InChI=1S/C31H44O6/c1-17-7-12-29-14-13-28(6)27(5)11-8-18-26(4,10-9-20(32)30(18)16-34-25(2,3)37-30)22(27)21-23(35-21)31(28,19(29)15-17)36-24(29)33/h18-23,32H,1,7-16H2,2-6H3/t18-,19-,20+,21+,22-,23+,26+,27-,28+,29+,30-,31-/m1/s1

0 references

InChIKey

UCWFZJRAFMGHGU-HNLHEYJOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UCWFZJRAFMGHGU-HNLHEYJOSA-N

(Q105270184)

(1'S,2'S,4S,4'S,5'R,6'R,9'S,11'R,14'R,15'S,18'S,23'R)-9'-hydroxy-2,2,6',14',15'-pentamethyl-21'-methylidenespiro[1,3-dioxolane-4,10'-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane]-25'-one

Statements

Identifiers

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