(Q110177978)

English

(3S,5S,6R,8R,9S,10R,13S,14S,16S,17R)-17-[(2R)-1-[(4R,5S)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]propan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

492.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₅

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canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CC(O)C4C(C)CC5OC(OC5C(C)C)(C)C)C3CC(O)C2C1

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isomeric SMILES

CC(C)[C@@H]1OC(C)(C)O[C@@H]1C[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Chamaelirium luteum

1 reference

stated in

Structure and Bioactivity of Steroidal Saponins Isolated from the Roots of Chamaelirium luteum (False Unicorn)

Identifiers

InChI

InChI=1S/C30H52O5/c1-16(2)27-25(34-28(4,5)35-27)12-17(3)26-24(33)15-21-19-14-23(32)22-13-18(31)8-10-29(22,6)20(19)9-11-30(21,26)7/h16-27,31-33H,8-15H2,1-7H3/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,27+,29-,30+/m1/s1

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InChIKey

OAINTSYRDOUQHU-GTEDTODYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OAINTSYRDOUQHU-GTEDTODYSA-N

1 reference

(Q110177978)

(3S,5S,6R,8R,9S,10R,13S,14S,16S,17R)-17-[(2R)-1-[(4R,5S)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]propan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol

Statements

Identifiers

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