(Q105305454)

English

(5R,6S,8R,9R,10R,13S,14R,17S)-6-hydroxy-17-[(E,2S)-2-hydroxy-6-methyl-7-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxyhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

6-Hydroxy-17-[2-hydroxy-6-methyl-7-(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxyhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

636.4237335 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₀O₉

0 references

canonical SMILES

O=C1CCC2(C)C3CCC4C(CCC4(C)C3(C)CC(O)C2C1(C)C)C(O)(C)CCC=C(C)COC5OC(OC)C(O)C(O)C5O

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isomeric SMILES

CO[C@H]1O[C@@H](OC/C(C)=C/CC[C@](C)(O)[C@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Hedera rhombea

1 reference

stated in

Studies on the constituents of Hedera rhombea Bean. II. On the dammarane triterpene glycosides. 1.

Identifiers

InChI

InChI=1S/C36H60O9/c1-20(19-44-31-28(41)26(39)27(40)30(43-8)45-31)10-9-15-36(7,42)22-13-17-34(5)21(22)11-12-24-33(4)16-14-25(38)32(2,3)29(33)23(37)18-35(24,34)6/h10,21-24,26-31,37,39-42H,9,11-19H2,1-8H3/b20-10+/t21-,22-,23-,24+,26-,27-,28+,29-,30-,31+,33+,34+,35+,36-/m0/s1

0 references

InChIKey

WHNRVMKOEVRYPC-DNGFSFDOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WHNRVMKOEVRYPC-DNGFSFDOSA-N

(Q105305454)

(5R,6S,8R,9R,10R,13S,14R,17S)-6-hydroxy-17-[(E,2S)-2-hydroxy-6-methyl-7-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxyhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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