Structure

Esculentosidec

CAS
65931-92-2
Catalog Number
ACM65931922
Category
Other Products
Molecular Weight
810.964440 [g/mol]
Molecular Formula
C42H66O15

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Specification

Synonyms
esculentosideC
IUPAC Name
(2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-te
Canonical SMILES
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC
InChI Key
NMDFCFOQBAHNPV-RFTJXAPBSA-N
Boiling Point
908.633ºC at 760 mmHg
Flash Point
266.801ºC
Density
1.387g/cm³
Exact Mass
810.44000
H-Bond Acceptor
15
H-Bond Donor
8
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