(Q105236113)

English

[(3R,8S,9S,10R,12S,13R,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(3aR,3bS,7S,9aR)-1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2H,3H,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-11-yl acetate

1 reference

based on heuristic

inferred from SMILES

1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2H,3H,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-11-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

422.230453428 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₄O₇

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canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(O)CCC32C)C4(O)CCC(O)(C(=O)C)C14C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2[C@@](O)(CC=C3C[C@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@]12C

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found in taxon

Cynanchum japonicum

1 reference

stated in

STUDIES ON THE CONSTITUENTS OF ASCLEPIADACEAE PLANTS. XV. ON THE COMPONENTS OF METAPLEXIS JAPONICA MAKINO. II

Cynanchum rostellatum

1 reference

stated in

STUDIES ON THE CONSTITUENTS OF ASCLEPIADACEAE PLANTS. XV. ON THE COMPONENTS OF METAPLEXIS JAPONICA MAKINO. II

Identifiers

InChI

InChI=1S/C23H34O7/c1-13(24)21(27)9-10-23(29)20(21,4)18(30-14(2)25)12-17-19(3)7-6-16(26)11-15(19)5-8-22(17,23)28/h5,16-18,26-29H,6-12H2,1-4H3/t16-,17+,18+,19+,20+,21-,22+,23-/m1/s1

0 references

InChIKey

RGWATMSCHWACQV-ZAYXGLAASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105236113)

[(3R,8S,9S,10R,12S,13R,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] acetate

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