(Q105028080)

English

(2S,3R,4S,5S,6R)-2-{[(2S,5Z)-2-[(1S,3aR,3bR,4S,5aS,7S,9aS,9bR,11aR)-4,7-dihydroxy-3b-(hydroxymethyl)-3a,6,6,9a-tetramethyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-[3,7-dihydroxy-8-(hydroxymethyl)-4,4,10,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

654.434298184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4S,5S,6R)-2-{[(2S,5Z)-2-[(1S,3aR,3bR,4S,5aR,7S,9aS,9bR,11aR)-4,7-dihydroxy-3b-(hydroxymethyl)-3a,6,6,9a-tetramethyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₆₂O₁₀

0 references

canonical SMILES

OCC(=CCCC(OC1OC(CO)C(O)C(O)C1O)(C)C2CCC3(C)C2CCC4C5(C)CCC(O)C(C)(C)C5CC(O)C43CO)C

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isomeric SMILES

C/C(=C/CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3C[C@H](O)[C@]12CO)CO

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found in taxon

Actinostemma tenerum

1 reference

stated in

Studies on the constituents of Actinostemma lobatum Maxim. I Structures of actinostemmosides A, B, C and D, dammarane triterpene glycosides isolated from the herb.

Identifiers

InChI

InChI=1S/C36H62O10/c1-20(17-37)8-7-13-35(6,46-31-30(44)29(43)28(42)23(18-38)45-31)22-11-15-34(5)21(22)9-10-24-33(4)14-12-26(40)32(2,3)25(33)16-27(41)36(24,34)19-39/h8,21-31,37-44H,7,9-19H2,1-6H3/b20-8-/t21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36+/m1/s1

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InChIKey

HGYRBMZHJGVFPT-OGYWNDFZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HGYRBMZHJGVFPT-OGYWNDFZSA-N

(Q105028080)

(2S,3R,4S,5S,6R)-2-{[(2S,5Z)-2-[(1S,3aR,3bR,4S,5aS,7S,9aS,9bR,11aR)-4,7-dihydroxy-3b-(hydroxymethyl)-3a,6,6,9a-tetramethyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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