(Q105152946)

English

3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6b-hydroxy-11b-methyl-10-methylidene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6b-hydroxy-11b-methyl-10-methylidene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

532.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6b-hydroxy-11b-methyl-10-methylidene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₈

0 references

canonical SMILES

O=C1OCC(=C1)C2C(=C)C3CC4C(CCC5CC(OC6OC(C)C(O)C(OC)C6O)CCC54C)C3(O)CC2

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isomeric SMILES

C=C1[C@@H](C2=CC(=O)OC2)CC[C@@]2(O)[C@@H]1C[C@H]1[C@H]2CC[C@@H]2C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]3O)CC[C@]12C

0 references

found in taxon

Cascabela thevetia

1 reference

stated in

C-nor-d-Homo-cardenolide glycosides fromThevetia neriifolia

Thevetia neriifolia

1 reference

stated in

C-nor-d-Homo-cardenolide glycosides fromThevetia neriifolia

Thevetia peruviana

1 reference

stated in

C-nor-d-Homo-cardenolide glycosides fromThevetia neriifolia

Identifiers

InChI

InChI=1S/C30H44O8/c1-15-20(17-11-24(31)36-14-17)8-10-30(34)21-6-5-18-12-19(7-9-29(18,3)23(21)13-22(15)30)38-28-26(33)27(35-4)25(32)16(2)37-28/h11,16,18-23,25-28,32-34H,1,5-10,12-14H2,2-4H3/t16-,18+,19-,20-,21+,22+,23-,25-,26+,27+,28-,29-,30-/m0/s1

0 references

InChIKey

LKBJIDGGHFKOLE-HXQNLMEQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LKBJIDGGHFKOLE-HXQNLMEQSA-N

(Q105152946)

3-[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-3-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6b-hydroxy-11b-methyl-10-methylidene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one

Statements

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