(Q105111325)

English

[(3S,5R,8R,9S,10R,14S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a,3b,6,6,9a-pentamethyl-1-(6-methylhept-5-en-2-yl)-2H,3H,4H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4=C(CCC43C)C(C)CCC=C(C)C)C1(C)C)C

0 references

isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CCC4=C([C@@H](C)CCC=C(C)C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

0 references

found in taxon

Stevia salicifolia

1 reference

stated in

A dammarane fromStevia salicifolia

Identifiers

InChI

InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-31(8)25(24)13-14-27-30(7)18-17-28(34-23(4)33)29(5,6)26(30)16-20-32(27,31)9/h11,22,26-28H,10,12-20H2,1-9H3/t22-,26-,27-,28-,30-,31+,32+/m0/s1

0 references

InChIKey

IDGBYRNAIIABKW-FUVMMTAUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IDGBYRNAIIABKW-FUVMMTAUSA-N

(Q105111325)

[(3S,5R,8R,9S,10R,14S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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