(Q104946477)

English

(3S,5R,8S,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,3aS,5aR,7R,9aR,11aR)-3a-hydroxy-7-{[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-11a-methyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

1 reference

1 reference

532.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₈

0 references

canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(OC)C3)CC2CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O

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isomeric SMILES

CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@H]3C2)O[C@@H](C)[C@H]1O

0 references

found in taxon

Apocynum cannabinum

1 reference

stated in

TUMOR INHIBITORS. IV. APOCANNOSIDE AND CYMARIN, THE CYTOTOXIC PRINCIPLES OF APOCYNUM CANNABINUM L

Identifiers

InChI

InChI=1S/C30H44O8/c1-17-27(33)24(35-3)14-26(37-17)38-20-6-10-29(16-31)19(13-20)4-5-23-22(29)7-9-28(2)21(8-11-30(23,28)34)18-12-25(32)36-15-18/h12,16-17,19-24,26-27,33-34H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23-,24-,26+,27+,28+,29+,30-/m0/s1

0 references

InChIKey

BVEFMGIAGANFEG-QQLJGPOGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVEFMGIAGANFEG-QQLJGPOGSA-N

(Q104946477)

(3S,5R,8S,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

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Identifiers

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