(Q105313114)

English

(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11aS)-5-hydroxy-1-[(2S,5E)-2-hydroxy-6-methyl-7-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxy}hept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[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-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

680.449948248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₆₄O₁₀

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC4C(CCC4(C)C3(C)CC(O)C2C1(C)C)C(O)(C)CCC=C(C)COC5OC(OC)C(O)C(O)C5O)C

0 references

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)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)[C@H](O)[C@@H](O)[C@@H]1O

0 references

1 reference

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

Identifiers

InChI=1S/C38H64O10/c1-21(20-46-33-30(43)28(41)29(42)32(45-9)48-33)11-10-16-38(8,44)24-14-18-36(6)23(24)12-13-26-35(5)17-15-27(47-22(2)39)34(3,4)31(35)25(40)19-37(26,36)7/h11,23-33,40-44H,10,12-20H2,1-9H3/b21-11+/t23-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33+,35+,36+,37+,38-/m0/s1

0 references

WUKFJZAEWTURTE-XYVYNYJPSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

WUKFJZAEWTURTE-XYVYNYJPSA-N

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